3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile

C17H22N2 — CID 64625230

IUPAC3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile
SMILESCc1ccccc1NC1(C#N)CCCC(C2CC2)C1
InChIInChI=1S/C17H22N2/c1-13-5-2-3-7-16(13)19-17(12-18)10-4-6-15(11-17)14-8-9-14/h2-3,5,7,14-15,19H,4,6,8-11H2,1H3
InChIKeyWYZKROVPFIVPDT-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.27
Rot. Bonds3

About 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile

3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile (PubChem CID 64625230) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile
PubChem CID64625230
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile
SMILESCc1ccccc1NC1(C#N)CCCC(C2CC2)C1
InChIInChI=1S/C17H22N2/c1-13-5-2-3-7-16(13)19-17(12-18)10-4-6-15(11-17)14-8-9-14/h2-3,5,7,14-15,19H,4,6,8-11H2,1H3
InChIKeyWYZKROVPFIVPDT-UHFFFAOYSA-N
XLogP4.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(2-methylanilino)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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile (CID 64625230) is 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile is Cc1ccccc1NC1(C#N)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile?
The InChIKey is WYZKROVPFIVPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-5-2-3-7-16(13)19-17(12-18)10-4-6-15(11-17)14-8-9-14/h2-3,5,7,14-15,19H,4,6,8-11H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile?
3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile has a molecular weight of 254.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-methylanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 64625230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).