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Molecule record

heptan-4-amine

C7H17N

115.22 g/mol

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Molecular properties

Formula
C7H17N
Molar mass
115.22 g·mol−1
Exact mass
115.1361 Da
0
PubChem CID
38665

Functional groups

Alkane / alkyl carbon
Primary amine

Physical properties

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

Common names and synonyms

  • 1-Propylbutanamine
  • 1-Propylbutylamine
  • 1-propyl-butylamine
  • 16751-59-0
  • 4-04-00-00745 (Beilstein Handbook Reference)
  • 4-Aminoheptane
  • 4-Heptanamine
  • 4-Heptylamine
Show all 24 synonyms
  • 7BR4UPN25Q
  • AMY3864
  • BBL003306
  • BRN 1697157
  • Butylamine, 1-propyl-
  • CLJMMQGDJNYDER-UHFFFAOYSA-N
  • DTXCID4035380
  • DTXSID5066116
  • EINECS 240-814-5
  • MFCD00014814
  • RefChem:99077
  • SCHEMBL284709
  • STK520612
  • SY024496
  • hept-4-ylamine
  • heptan-4-amine hydrochloride

Structure identifiers

Canonical SMILES
CCCC(N)CCC
Isomeric SMILES
CCCC(CCC)N
InChI
InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
InChIKey
CLJMMQGDJNYDER-UHFFFAOYSA-N
PubChem CID
38665

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 heptan-4-amine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for heptan-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
heptan-4-amine - Formula, Structure | ChemArche