chempirical

2-Isobutylquinoline

C13H15NCAS 93-19-6185.27 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C13H15N
Molar mass
185.27 g/mol
Exact mass
185.1204 Da
Boiling point
157 °C (at 22 Torr)
logP
3.43Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
93-19-6
SMILES
CC(C)Cc1ccc2ccccc2n1
InChIKey
FAQVGPWFQGGIPP-UHFFFAOYSA-N
InChI
InChI=1S/C13H15N/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12/h3-8,10H,9H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Quinoline, 2-(2-methylpropyl)-
  • Quinoline, 2-isobutyl-
  • 2-(2-Methylpropyl)quinoline

Work with 2-Isobutylquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Quinolinemethanol1780-17-255 % similar 2-(Chloromethyl)quinoline hydrochloride3747-74-850 % similar 2-Isobutylpyridine6304-24-147 % similar Quinaldine91-63-445 % similar 2,2'-Biquinoline119-91-545 % similar 2-Quinolone59-31-441 % similar 2-Chloroquinoline612-62-441 % similar Isobutylbenzene538-93-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook