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Molecule record

Pentadecanenitrile

C15H29N

223.40 g/mol

2D structure for Pentadecanenitrile

Molecular properties

Formula
C15H29N
Molar mass
223.40 g·mol−1
Exact mass
223.2300 Da
2
0
1
23.80 Ų
6.4 (PubChem computed XLogP3-AA descriptor)
CAS
18300-91-9
PubChem CID
87568

Interactions

Polarity
Polar functional group with nonpolar contribution from the carbon skeleton.
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

Nitrile

Physical properties

PropertyValueConditionsSource
Logp6.4PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 18300-91-9
  • 242-184-7
  • C15H29N
  • CHEBI:219509
  • DTXCID3093866
  • DTXSID50171375
  • EINECS 242-184-7
  • KRKQHNVYOWTEQO-UHFFFAOYSA-N
Show all 22 synonyms
  • LMFA09000006
  • MFCD00019849
  • Myristyl Cyanide
  • Pentadecanitrile
  • Pentadecanonitrile
  • RefChem:171337
  • SCHEMBL4754561
  • SCHEMBL4754562
  • SCHEMBL60022
  • SCHEMBL8602004
  • TAA30091
  • Tetradecyl cyanide
  • n-Pentadecanonitrile
  • pentadecannitril

Structure identifiers

Canonical SMILES
CCCCCCCCCCCCCCC#N
Isomeric SMILES
CCCCCCCCCCCCCCC#N
InChI
InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3
InChIKey
KRKQHNVYOWTEQO-UHFFFAOYSA-N
PubChem CID
87568

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

2250 cm−1C≡N nitrile (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Pentadecanenitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Pentadecanenitrile; 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)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record