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Molecule record

2-tert-butylquinoline

C13H15N

185.27 g/mol

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Molecular properties

Formula
C13H15N
Molar mass
185.27 g·mol−1
Exact mass
185.1204 Da
7
PubChem CID
598409

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 2-t-butylquinoline
  • 2-tert-Butylquinoline #
  • 22493-94-3
  • AKOS006321346
  • DB-116903
  • DB-310475
  • DTXCID30295700
  • DTXSID70344625
Show all 16 synonyms
  • NS00052889
  • PYCYTTRLLIKJBU-UHFFFAOYSA-N
  • Quinoline, 2-tert-butyl-
  • RefChem:267178
  • SCHEMBL10773584
  • SCHEMBL30824476
  • SCHEMBL762342
  • SCHEMBL9870698

Structure identifiers

Canonical SMILES
CC(C)(C)c1ccc2ccccc2n1
Isomeric SMILES
CC(C)(C)C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H15N/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12/h4-9H,1-3H3
InChIKey
PYCYTTRLLIKJBU-UHFFFAOYSA-N
PubChem CID
598409

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-tert-butylquinoline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-tert-butylquinoline; 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