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Molecule record

2-[1-(aminomethyl)cyclohexyl]acetic acid

C9H17NO2

171.24 g/mol

Loading structure

Molecular properties

Formula
C9H17NO2
Molar mass
171.24 g·mol−1
Exact mass
171.1259 Da
2
PubChem CID
3446

Functional groups

Alkane / alkyl carbon
Carboxylic acid
Primary amine

Physical properties

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

Common names and synonyms

  • 1-(Aminomethyl)cyclohexaneacetic acid
  • 60142-96-3
  • 6CW7F3G59X
  • Aclonium
  • BRN 2359739
  • CI-945
  • Cyclohexaneacetic acid, 1-(aminomethyl)-
  • DM-1796
Show all 24 synonyms
  • DTXCID5074
  • DTXSID0020074
  • Fanatrex
  • GOE 2450
  • Gabapentine
  • Gabapentino
  • Gabapentinum
  • Gabapetin
  • Go 3450
  • Goe-3450
  • Gralise
  • NSC-742194
  • NSC-759254
  • Neurontin
  • gabapentin
  • gabapentina

Structure identifiers

Canonical SMILES
NCC1(CC(=O)O)CCCCC1
Isomeric SMILES
C1CCC(CC1)(CC(=O)O)CN
InChI
InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
InChIKey
UGJMXCAKCUNAIE-UHFFFAOYSA-N
PubChem CID
3446

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-[1-(aminomethyl)cyclohexyl]acetic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-[1-(aminomethyl)cyclohexyl]acetic acid; 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