Molecular properties
- Formula
- C7H17N
- Molar mass
- 115.22 g·mol−1
- Exact mass
- 115.1361 Da
- 0
- 1
- 1
- 26.00 Ų
- 2.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-68-2
- PubChem CID
- 8127
Molecule record
1-Heptanamine
C7H17N
115.22 g/mol
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
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 2.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Aminoheptane
- 1-Heptylamine
- 111-68-2
- 203-895-8
- 4-04-00-00734 (Beilstein Handbook Reference)
- AI3-24038
- BRN 1731688
- DTXCID50681
Show all 22 synonyms
- DTXSID7020681
- EINECS 203-895-8
- Heptanamine
- Heptylamine
- MFCD00008244
- N-HEPTYLAMINE
- NSC 2074
- NSC-2074
- NSC2074
- RefChem:432909
- heptan-1-amine
- heptane, 1-amino-
- heptyl amine
- heptyl-amine
Structure identifiers
- Canonical SMILES
- CCCCCCCN
- Isomeric SMILES
- CCCCCCCN
- InChI
- InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
- InChIKey
- WJYIASZWHGOTOU-UHFFFAOYSA-N
- PubChem CID
- 8127
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-Heptanamine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-Heptanamine; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.