4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile

C25H35N — CID 139659671

IUPAC4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
SMILESCCCCC1CCC(C=CC2CCC(c3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C25H35N/c1-2-3-4-20-5-7-21(8-6-20)9-10-22-11-15-24(16-12-22)25-17-13-23(19-26)14-18-25/h9-10,13-14,17-18,20-22,24H,2-8,11-12,15-16H2,1H3
InChIKeyJYIVQGIZCCVFEM-UHFFFAOYSA-N
MW349.56 g/mol
LogP7.38
Rot. Bonds6

About 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile

4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile (PubChem CID 139659671) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
PubChem CID139659671
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
SMILESCCCCC1CCC(C=CC2CCC(c3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C25H35N/c1-2-3-4-20-5-7-21(8-6-20)9-10-22-11-15-24(16-12-22)25-17-13-23(19-26)14-18-25/h9-10,13-14,17-18,20-22,24H,2-8,11-12,15-16H2,1H3
InChIKeyJYIVQGIZCCVFEM-UHFFFAOYSA-N
XLogP7.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 67707796
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 19099062
4-[4-[4-[4-(2-cyanoethenyl)cyclohexyl]butyl]cyclohexyl]benzonitrile
CID 54259346
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
CID 67925507
4-[4-[3-[(E)-hept-2-enoxy]propyl]cyclohexyl]benzonitrile
CID 19769022
4-[[(4-cyanophenyl)-[4-(4-hexylcyclohexyl)phenyl]methoxy]-[4-(4-hexylcyclohexyl)phenyl]methyl]benzonitrile
CID 70529932
4-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzonitrile
CID 139837189
4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzonitrile
CID 19739052
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
CID 67894424
1-(4-butylcyclohexyl)-4-[(E)-4-[4-(4-pentoxyphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657314
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-(3-hept-4-enoxypropyl)cyclohexyl]benzonitrile
CID 54041694

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile?
The IUPAC name of 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile (CID 139659671) is 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile?
The canonical SMILES for 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile is CCCCC1CCC(C=CC2CCC(c3ccc(C#N)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile?
The InChIKey is JYIVQGIZCCVFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-2-3-4-20-5-7-21(8-6-20)9-10-22-11-15-24(16-12-22)25-17-13-23(19-26)14-18-25/h9-10,13-14,17-18,20-22,24H,2-8,11-12,15-16H2,1H3.
What are the key properties of 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile?
4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile has a molecular weight of 349.56 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile is sourced from PubChem (CID 139659671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).