2-Isocyano-2,4,4-trimethylpentane

C9H17NCAS 14542-93-9139.24 g/mol

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C−N+

Properties

Molecular formula
C9H17N
Molar mass
139.24 g/mol
Exact mass
139.1361 Da
logP
3.12Crippen estimate
Polar surface area
4.4 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14542-93-9
SMILES
[C-]#[N+]C(C)(C)CC(C)(C)C
InChIKey
YVPXQMYCTGCWBE-UHFFFAOYSA-N
InChI
InChI=1S/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H3

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

Names and synonyms

12 names
  • Pentane, 2-isocyano-2,4,4-trimethyl-
  • Butyl isocyanide, 1,1,3,3-tetramethyl-
  • 1,1,3,3-Tetramethylbutyl isocyanide
  • tert-Octyl isonitrile
  • tert-Octyl isocyanide
  • Walborsky's reagent
  • Reagents, walborsky's
  • NSC 141688
  • 1,1,3,3-Tetramethylbutyl isonitrile
  • 2,4,4-Trimethyl-2-pentylisonitrile
  • 4-Isocyano-2,2,4-trimethylpentane
  • (2,4,4-Trimethylpentan-2-yl)isonitrile

Work with 2-Isocyano-2,4,4-trimethylpentane

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

2,2,4,4-Tetramethylpentane1070-87-742 % similar tert-OCTYL MERCAPTAN31511-35-038 % similar tert-Butyl isocyanide7188-38-736 % similar 2,4,4-Trimethyl-2-pentanamine107-45-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Decahydroquinoline2051-28-7 Nonanenitrile2243-27-8 2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-8 Decahydroisoquinoline6329-61-9 N-2-Propen-1-ylcyclohexanamine6628-00-8

Elsewhere

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