chempirical

2,3-Dimethyl-2-(1-methylethyl)butanenitrile

C9H17NCAS 55897-64-8139.24 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C9H17N
Molar mass
139.24 g/mol
Exact mass
139.1361 Da
Boiling point
186–187 °C
logP
2.83Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
55897-64-8
SMILES
CC(C)C(C)(C#N)C(C)C
InChIKey
XSQHUYDRSDBCHN-UHFFFAOYSA-N
InChI
InChI=1S/C9H17N/c1-7(2)9(5,6-10)8(3)4/h7-8H,1-5H3

Weigh it out

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

Names and synonyms

5 names
  • Butanenitrile, 2,3-dimethyl-2-(1-methylethyl)-
  • Butyronitrile, 2-isopropyl-2,3-dimethyl-
  • 2-Isopropyl-2,3-dimethylbutyronitrile
  • 2,3-Dimethyl-2-propan-2-ylbutanenitrile
  • 2,3-Dimethyl-2-(propan-2-yl)butanenitrile

Work with 2,3-Dimethyl-2-(1-methylethyl)butanenitrile

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-Amino-2,3-dimethylbutanenitrile13893-53-348 % similar Pivalonitrile630-18-238 % similar Triptane464-06-235 % similar 2-Amino-2-methylpropanenitrile19355-69-233 % similar 2,2′-Azobis[2,4-dimethylvaleronitrile]4419-11-833 % similar Acetone cyanohydrin75-86-533 % similar Azobisisobutyronitrile78-67-133 % similar 2,2′-Azobis[2-methylbutyronitrile]13472-08-732 % similar

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

Same formula

2-Isocyano-2,4,4-trimethylpentane14542-93-9 Decahydroquinoline2051-28-7 Nonanenitrile2243-27-8 Decahydroisoquinoline6329-61-9 N-2-Propen-1-ylcyclohexanamine6628-00-8

Elsewhere

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