Hunig's base

Athanor · official

C₈H₁₉N · 129.24 g/mol

IUPAC name: N-ethyl-N-propan-2-ylpropan-2-amine

Also called DIPEA, DIEA, N,N-diisopropylethylamine, Hunigs base

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerHighly Flammable liquid and vapor · Harmful if swallowed · Causes serious eye damage · Toxic if inhaled · May cause respiratory irritation

Names and identifiers

IUPAC name: N-ethyl-N-propan-2-ylpropan-2-amine
Synonyms: DIPEA, DIEA, N,N-diisopropylethylamine
+ 38 more
Hunigs base, N,N-Diisopropylethylamine, Ethyldiisopropylamine, Diisopropylethylamine, N-Ethyldiisopropylamine, diea, 2-Propanamine, N-ethyl-N-(1-methylethyl)-, 1,1'-Dimethyltriethylamine, 5SIQ15721L, NSC-147491, DTXSID8064561, RefChem:161220, DTXCID3046829, 230-392-0, N-ethyl-N-isopropylpropan-2-amine, ethylbis(propan-2-yl)amine, N-Ethyl-N,N-diisopropylamine, N-ethyl-N-propan-2-ylpropan-2-amine, ethyl-diisopropyl-amine, Huenig's base, Diisopropylethylamin, iPr2NEt, diisopropyl ethylamine, diisopropylethyl amine, N-ethyl-diisopropylamine, n,n-diisopropyl-ethylamin, N,N-Diisopropylethylamine (DIPEA), MFCD00008868, Triethylamine, 1,1'-dimethyl-, di-isopropylethyl amine, N-ethyl-N-isopropyl-propan-2-amine, NSC 147491, N-ethyl-N-(1-methylethyl)-2-propanamine, N-ethyl-N-(propan-2-yl)propan-2-amine, N,N'-Diisopropylethylamine, Huenig base, Hunig base, N,N-Diisopropylethyl amine
Molecular formula: C₈H₁₉N
Empirical formula: C₈H₁₉N
Molecular weight: 129.24 g/mol
Exact mass: 129.15175
CAS number: 7087-68-5
PubChem CID: 81531
Canonical SMILES: CCN(C(C)C)C(C)C
Isomeric SMILES: CCN(C(C)C)C(C)C
InChI: InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKey: JGFZNNIVVJXRND-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Boiling point: 126.5 °C @760 [mmHg][1]
Density: 0.742 @25 °C[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 9
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 1
Rotatable bonds: 3
TPSA (Å²): 3.2
Formal charge: 0
XLogP3: 2.2 PubChem
Complexity: 59 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C74.34%
H14.82%
N10.84%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 2.13 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.78 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.27 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 129.25
log P ≤ 5 (Crippen): 2.13
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 1

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 2,527 company reports to ECHA. Source [2].

Flammable
Corrosive
Acute toxicity
Harmful or irritant

H225Highly Flammable liquid and vapor (97.8% of reports)
H302Harmful if swallowed (92.3% of reports)
H318Causes serious eye damage (96.4% of reports)
H331Toxic if inhaled (91.3% of reports)
H335May cause respiratory irritation (91.3% of reports)

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P370+P378, P403+P233, P403+P235, P405, P501

View all classifications (2)

[2] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2527) of reports.
[2] European Chemicals Agency (ECHA) · 2,527 reports · DangerH225, H302, H318, H331, H335

Safety data sheets on the supplier’s page: AA BLOCKS, Smolecule, Sigma-Aldrich.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[3]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.