5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile

C20H35N — CID 18611515

IUPAC5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile
SMILESCCCC1CCC(C2CCC(CCCCC#N)CC2)CC1
InChIInChI=1S/C20H35N/c1-2-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-4-3-5-16-21/h17-20H,2-15H2,1H3
InChIKeyLSKVYVZGIHXTSC-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.48
Rot. Bonds7

About 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile

5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile (PubChem CID 18611515) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile
PubChem CID18611515
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile
SMILESCCCC1CCC(C2CCC(CCCCC#N)CC2)CC1
InChIInChI=1S/C20H35N/c1-2-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-4-3-5-16-21/h17-20H,2-15H2,1H3
InChIKeyLSKVYVZGIHXTSC-UHFFFAOYSA-N
XLogP6.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile 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

2-[4-(4-propylcyclohexyl)cyclohexyl]acetonitrile
CID 14204808
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]acetonitrile
CID 70840657
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile;trihydrate
CID 157133705
4-[4-[2-[4-[2-cyano-2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexyl]butanenitrile
CID 18605239
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile?
The IUPAC name of 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile (CID 18611515) is 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile.
What is the SMILES notation for 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile?
The canonical SMILES for 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile is CCCC1CCC(C2CCC(CCCCC#N)CC2)CC1.
What is the InChIKey of 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile?
The InChIKey is LSKVYVZGIHXTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-2-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-4-3-5-16-21/h17-20H,2-15H2,1H3.
What are the key properties of 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile?
5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile has a molecular weight of 289.51 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile is sourced from PubChem (CID 18611515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).