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Molecule record

2-Heptanamine

C7H17N

115.22 g/mol

2D structure for 2-Heptanamine

Molecular properties

Formula
C7H17N
Molar mass
115.22 g·mol−1
Exact mass
115.1361 Da
0
1
1
26.00 Ų
2.4 (PubChem computed XLogP3-AA descriptor)
CAS
123-82-0
PubChem CID
5603

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
Logp2.4PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Methylhexylamine
  • 123-82-0
  • 2-AMINOHEPTANE
  • 2-Heptylamine
  • 204-655-5
  • DTXCID6028442
  • DTXSID6048468
  • Heptamine
Show all 22 synonyms
  • Heptedrine
  • NSC-1091
  • R01AA11
  • R01AB08
  • RefChem:900701
  • Rineptil
  • Tuamine
  • Tuaminoheptano
  • Tuaminoheptanum
  • Z0420GYD84
  • heptan-2-amine
  • tuamine sulfate (2:1)
  • tuaminoeptano
  • tuaminoheptane

Structure identifiers

Canonical SMILES
CCCCCC(C)N
Isomeric SMILES
CCCCCC(C)N
InChI
InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3
InChIKey
VSRBKQFNFZQRBM-UHFFFAOYSA-N
PubChem CID
5603

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 2-Heptanamine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-Heptanamine; not experimental data.

Sources

Molecule identity

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

PubChem(link only)
Open source record
2-Heptanamine - Formula, Structure, Properties | ChemArche