chempirical

2-Isobutylpyridine

C9H13NCAS 6304-24-1135.21 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Density
0.8973 g/mL (at 20 °C)
Boiling point
180–185 °C
logP
2.28Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
6304-24-1
SMILES
CC(C)Cc1ccccn1
InChIKey
BBVSPSDWPYWMOR-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-8(2)7-9-5-3-4-6-10-9/h3-6,8H,7H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Pyridine, 2-(2-methylpropyl)-
  • Pyridine, 2-isobutyl-
  • 2-(2-Methylpropyl)pyridine
  • NSC 42623

Work with 2-Isobutylpyridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Ethylpyridine100-71-054 % similar Isobutylpyrazine29460-92-253 % similar 2-Propylpyridine622-39-950 % similar 2-(Methoxymethyl)pyridine23579-92-248 % similar Dipicolylamine1539-42-048 % similar 2-Pyridinemethanethiol2044-73-748 % similar 2-Picolylamine3731-51-948 % similar 2-Chloromethylpyridine4377-33-748 % similar

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

Same formula

N-Ethyl-M-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-M-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

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