2-Isocyano-2,4,4-trimethylpentane

C₉H₁₇NCAS 14542-93-9139.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₇N
Molar mass: 139.24 g/mol
Exact mass: 139.1361 Da
logP: 3.12Crippen estimate
Polar surface area: 4.4 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

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

Weigh it out

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 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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