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Molecule record

octan-4-amine

C8H19N

129.25 g/mol

Loading structure

Molecular properties

Formula
C8H19N
Molar mass
129.25 g·mol−1
Exact mass
129.1517 Da
0
PubChem CID
11073446

Functional groups

Alkane / alkyl carbon
Primary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1117-33-5
  • 4-Octanamine
  • AKOS009392113
  • BAA11733
  • DTXSID001317820
  • EN300-99810
  • N-Butyl-1-butanamin
  • PSBKYMODPYHLAW-UHFFFAOYSA-N
Show all 16 synonyms
  • Q5652296
  • RefChem:295171
  • SCHEMBL1679193
  • SCHEMBL27644999
  • SCHEMBL27903130
  • SCHEMBL345042
  • SCHEMBL7616106
  • SCHEMBL7622616

Structure identifiers

Canonical SMILES
CCCCC(N)CCC
Isomeric SMILES
CCCCC(CCC)N
InChI
InChI=1S/C8H19N/c1-3-5-7-8(9)6-4-2/h8H,3-7,9H2,1-2H3
InChIKey
PSBKYMODPYHLAW-UHFFFAOYSA-N
PubChem CID
11073446

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for octan-4-amine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for octan-4-amine; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record