3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile

C17H22N2O — CID 64625229

IUPAC3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile
SMILESCOc1cccc(NC2(C#N)CCCC(C3CC3)C2)c1
InChIInChI=1S/C17H22N2O/c1-20-16-6-2-5-15(10-16)19-17(12-18)9-3-4-14(11-17)13-7-8-13/h2,5-6,10,13-14,19H,3-4,7-9,11H2,1H3
InChIKeyJJFODGGZCXNFMV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.97
Rot. Bonds4

About 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile

3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile (PubChem CID 64625229) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile
PubChem CID64625229
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile
SMILESCOc1cccc(NC2(C#N)CCCC(C3CC3)C2)c1
InChIInChI=1S/C17H22N2O/c1-20-16-6-2-5-15(10-16)19-17(12-18)9-3-4-14(11-17)13-7-8-13/h2,5-6,10,13-14,19H,3-4,7-9,11H2,1H3
InChIKeyJJFODGGZCXNFMV-UHFFFAOYSA-N
XLogP3.97
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-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-(3-methoxyanilino)-3-methylcyclohexane-1-carbonitrile
CID 54887116
3-cyclopropyl-1-(4-methoxyanilino)cyclohexane-1-carbonitrile
CID 64624840
1-anilino-3-cyclopropylcyclohexane-1-carbonitrile
CID 64624445
1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile
CID 54887163
4-(3-methoxyanilino)-1-methylazepane-4-carbonitrile
CID 65075260
3-(3-methoxyanilino)-1,1-dioxothiane-3-carbonitrile
CID 63923259
1-(3-methoxyanilino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 115999180
3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile
CID 64625230
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
3-(3-methoxyanilino)-1-azabicyclo[2.2.2]octane-3-carbonitrile
CID 54887533
1-(1-cyano-4-methylcyclohexyl)-3-(3-methoxyphenyl)urea
CID 61310955
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile (CID 64625229) is 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile is COc1cccc(NC2(C#N)CCCC(C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile?
The InChIKey is JJFODGGZCXNFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-16-6-2-5-15(10-16)19-17(12-18)9-3-4-14(11-17)13-7-8-13/h2,5-6,10,13-14,19H,3-4,7-9,11H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile?
3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 64625229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).