4-[trans-4-(1E)-1-Propen-1-ylcyclohexyl]benzonitrile

C₁₆H₁₉NCAS 96184-40-6225.33 g/mol

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Properties

Molecular formula: C₁₆H₁₉N
Molar mass: 225.33 g/mol
Exact mass: 225.1517 Da
logP: 4.41Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2
Stereocentres: r, rin SMILES atom order
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

96184-40-6

SMILES

C/C=C/[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1

InChIKey

WFVBLRKVRNUULX-AXEKWBSNNA-N

InChI

InChI=1/C16H19N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,6-7,10-11,13,15H,4-5,8-9H2,1H3/b3-2+/t13-,15-

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Names and synonyms

4 names

Benzonitrile, 4-[trans-4-(1E)-1-propen-1-ylcyclohexyl]-
Benzonitrile, 4-[4-(1-propenyl)cyclohexyl]-, [1α,4β(E)]-
Benzonitrile, 4-[trans-4-(1E)-1-propenylcyclohexyl]-
4-[trans-4-(trans-1-Propenyl)cyclohexyl]-1-cyanobenzene

Work with 4-[trans-4-(1E)-1-Propen-1-ylcyclohexyl]benzonitrile

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

4-(trans-4-Ethenylcyclohexyl)benzonitrile96184-42-865 % similar 4-(trans-4-Ethylcyclohexyl)benzonitrile72928-54-258 % similar 4-(trans-4-Propylcyclohexyl)benzonitrile61203-99-456 % similar 4-(trans-4-Butylcyclohexyl)benzonitrile61204-00-054 % similar 4-(trans-4-Pentylcyclohexyl)benzonitrile61204-01-152 % similar 4′-(trans-4-Pentylcyclohexyl)[1,1′-biphenyl]-4-carbonitrile68065-81-649 % similar Bis(4-cyanophenyl)methanol134521-16-741 % similar 1,4-Dicyanobenzene623-26-739 % similar

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

Same formula

N-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-8 N-Methyl-γ-phenylbenzenepropanamine28075-29-8

Elsewhere

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