Molecular properties
- Formula
- C10H14N2
- Molar mass
- 162.23 g·mol−1
- Exact mass
- 162.1157 Da
- 5
- 0
- 2
- 16.10 Ų
- 1.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 54-11-5
- PubChem CID
- 89594
Molecule record
nicotine
C10H14N2
162.23 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
Alkene
Amine
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (-)-Nicotine
- (S)-(-)-Nicotine
- (S)-3-(1-methylpyrrolidin-2-yl)pyridine
- (S)-Nicotine
- 1-Methyl-2-(3-pyridyl)pyrrolidine
- 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
- 54-11-5
- Emo-nik
Show all 23 synonyms
- Flux MAAG
- Fumetobac
- Habitrol
- L-Nicotine
- Mach-Nic
- Nic-Sal
- Nico-Fume
- Nico-dust
- Nicocide
- Nicoderm
- Nicoderm Cq
- Nicotine alkaloid
- Nicotrol
- Prostep
- Tendust
Structure identifiers
- Canonical SMILES
- CN1CCC[C@H]1C2=CN=CC=C2
- Isomeric SMILES
- CN1CCC[C@H]1C2=CN=CC=C2
- InChI
- InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
- InChIKey
- SNICXCGAKADSCV-JTQLQIEISA-N
- PubChem CID
- 89594
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for nicotine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for nicotine; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.