1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile

C21H35N — CID 18643161

IUPAC1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCCC[C@H]1CC=C(C2(C#N)CCC(CCC)CC2)CC1
InChIInChI=1S/C21H35N/c1-3-5-6-8-19-9-11-20(12-10-19)21(17-22)15-13-18(7-4-2)14-16-21/h11,18-19H,3-10,12-16H2,1-2H3/t18?,19-,21?/m0/s1
InChIKeyUXKKJMKJZNJVMU-SCCNAQOGSA-N
MW301.52 g/mol
LogP6.79
Rot. Bonds7

About 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile

1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile (PubChem CID 18643161) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile
PubChem CID18643161
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCCC[C@H]1CC=C(C2(C#N)CCC(CCC)CC2)CC1
InChIInChI=1S/C21H35N/c1-3-5-6-8-19-9-11-20(12-10-19)21(17-22)15-13-18(7-4-2)14-16-21/h11,18-19H,3-10,12-16H2,1-2H3/t18?,19-,21?/m0/s1
InChIKeyUXKKJMKJZNJVMU-SCCNAQOGSA-N
XLogP6.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile 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

1-(4-butylphenyl)-4-hexylcyclohexane-1-carbonitrile
CID 18596921
1-(4-pentoxyphenyl)-4-propylcyclohexane-1-carbonitrile
CID 18596982
4-heptyl-1-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 18596732
1-(4-pentylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 18596656
4-butyl-1-(4-pentylphenyl)cyclohexane-1-carbonitrile
CID 18596983
4-heptyl-1-(5-propylpyrimidin-2-yl)cyclohexane-1-carbonitrile
CID 18596758
4-heptyl-1-(2-propylpyrimidin-5-yl)cyclohexane-1-carbonitrile
CID 18596707
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
1-[4-(4-butylphenyl)phenyl]-4-heptylcyclohexane-1-carbonitrile
CID 18643132
4-pentyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane-1-carbonitrile
CID 18597062
4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 18596975
4-(4-octylcyclohexen-1-yl)benzonitrile
CID 70571980

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile (CID 18643161) is 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile is CCCCC[C@H]1CC=C(C2(C#N)CCC(CCC)CC2)CC1.
What is the InChIKey of 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is UXKKJMKJZNJVMU-SCCNAQOGSA-N. The full InChI is InChI=1S/C21H35N/c1-3-5-6-8-19-9-11-20(12-10-19)21(17-22)15-13-18(7-4-2)14-16-21/h11,18-19H,3-10,12-16H2,1-2H3/t18?,19-,21?/m0/s1.
What are the key properties of 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile?
1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 301.52 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-pentylcyclohexen-1-yl]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 18643161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).