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Spermine

Athanor · official

C10H26N4 · 202.34 g/mol

IUPAC name: N,N'-bis(3-aminopropyl)butane-1,4-diamine

Also called polyamine, gerontine, musculamine

ReagentsMetabolites
Open in Athanor
The structure of Spermine
Drawn from its SMILES with RDKit
CorrosiveDangerCauses severe skin burns and eye damage · Causes serious eye damage

Names and identifiers

IUPAC name
N,N'-bis(3-aminopropyl)butane-1,4-diamine
Synonyms
polyamine, gerontine, musculamine
+ 36 more

neuridine, Spermin, N,N'-Bis(3-aminopropyl)-1,4-butanediamine, Diaminopropyltetramethylenediamine, 4,9-Diaza-1,12-dodecanediamine, N,N'-Bis(3-aminopropyl)butane-1,4-diamine, Spermine, puriss, 1,4-Bis(aminopropyl)butanediamine, 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-, 4,9-Diazadodecamethylenediamine, Gerotine, Spermina, 4,9-Diazadodecane-1,12-diamine, 2FZ7Y3VOQX, Actilip sp-91, 1,5,10,14-Tetraazatetradecane, 1,4-Bis(aminopropyl) butanediamine, 1,4-Diaminobutane, N,N'-bis(3-aminopropyl)-, NSC-268508, (3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine, CHEBI:15746, diaminopropyl-tetramethylenediamine, 1,4-Butanediamine, N1,N4-bis(3-aminopropyl)-, (3-aminopropyl)((4-((3-aminopropyl)amino)butyl))amine, RefChem:6255, 200-754-2, N1,N1'-(Butane-1,4-diyl)bis(propane-1,3-diamine), N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, MFCD00008215, NSC 268508, BRN 1750791, AI3-26633, NSC 268508; Neuridine, CHEMBL23194, BPBio1_001086, N1,N4-bis(3-aminopropyl)-1,4-butanediamine

Molecular formula
C10H26N4
Empirical formula
C5H13N2
Molecular weight
202.34 g/mol
Exact mass
202.21575
CAS number
71-44-3
PubChem CID
1103
Canonical SMILES
C(CCNCCCN)CNCCCN
Isomeric SMILES
C(CCNCCCN)CNCCCN
InChI
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKey
PFNFFQXMRSDOHW-UHFFFAOYSA-N
Molfile

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

Calculated

Heavy atoms
14
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
11
TPSA (Ų)
76.1
Formal charge
0
XLogP3
-1.1 PubChem
Complexity
86 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

  • C59.36%
  • H12.95%
  • N27.69%

Isotope pattern

100%202.21613%203.218204.221

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
-0.36 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.14 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.18 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 202.35
  • log P ≤ 5 (Crippen): -0.36
  • H-bond donors ≤ 5: 4
  • H-bond acceptors ≤ 10: 4

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: 76 company reports to ECHA. Source [1].

  • Corrosive
  • H314Causes severe skin burns and eye damage
  • H318Causes serious eye damage (39.5% of reports)

Precautionary statements: P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Safety data sheets on the supplier’s page: Glentham Life Sciences Ltd., Alfa Chemistry, Sinfoo Biotech.

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. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  6. [6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.