Molecule record

1-Octanamine

C8H19N

129.24 g/mol

2D structure for 1-Octanamine

Molecular properties

Formula
C8H19N
Molar mass
129.24 g·mol−1
Exact mass
129.1517 Da
0
1
1
26.00 Ų
3.1 (PubChem computed XLogP3-AA descriptor)
CAS
111-86-4
PubChem CID
8143

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Amine

Physical properties

PropertyValueConditionsSource
Logp3.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Aminooctane
  • 1-Octylamine
  • 111-86-4
  • 203-916-0
  • Armeen 8
  • Armeen 8D
  • CHEBI:7728
  • Caprylamine
Show all 22 synonyms
  • Caprylylamine
  • DTXCID401939
  • DTXSID8021939
  • GENAMIN 8R
  • Monoctylamine
  • Monooctylamine
  • N-OCTYLAMINE
  • NSC-9824
  • Octanamine
  • Octylamine
  • RefChem:167904
  • SF0V8U4T67
  • n-Octylamine, mono-
  • octan-1-amine

Structure identifiers

Canonical SMILES
CCCCCCCCN
Isomeric SMILES
CCCCCCCCN
InChI
InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey
IOQPZZOEVPZRBK-UHFFFAOYSA-N
PubChem CID
8143

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 1-Octanamine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-Octanamine; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record