2-cyclohexyl-2-(4-methylanilino)acetonitrile

C15H20N2 — CID 54886450

IUPAC2-cyclohexyl-2-(4-methylanilino)acetonitrile
SMILESCc1ccc(NC(C#N)C2CCCCC2)cc1
InChIInChI=1S/C15H20N2/c1-12-7-9-14(10-8-12)17-15(11-16)13-5-3-2-4-6-13/h7-10,13,15,17H,2-6H2,1H3
InChIKeyPCVJHIDBTKSOPP-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.88
Rot. Bonds3

About 2-cyclohexyl-2-(4-methylanilino)acetonitrile

2-cyclohexyl-2-(4-methylanilino)acetonitrile (PubChem CID 54886450) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(4-methylanilino)acetonitrile
PubChem CID54886450
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-cyclohexyl-2-(4-methylanilino)acetonitrile
SMILESCc1ccc(NC(C#N)C2CCCCC2)cc1
InChIInChI=1S/C15H20N2/c1-12-7-9-14(10-8-12)17-15(11-16)13-5-3-2-4-6-13/h7-10,13,15,17H,2-6H2,1H3
InChIKeyPCVJHIDBTKSOPP-UHFFFAOYSA-N
XLogP3.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-(4-methylanilino)acetonitrile 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-chloroanilino)-2-cyclopentylacetonitrile
CID 62071071
2-(4-chloroanilino)-2-cyclopropylacetonitrile
CID 61310144
(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
CID 51669423
2-(3-chloroanilino)-2-cyclopentylacetonitrile
CID 62071246
N-[(S)-cyano(cyclohexyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 95788643
2-(4-bromoanilino)-2-(4-tert-butylcyclohexyl)acetonitrile
CID 104575489
2-(2-bromoanilino)-2-cyclohexylacetonitrile
CID 54886899
N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539335
2-cyclopentyl-2-(2-fluoroanilino)acetonitrile
CID 62071587
1-[cyano(cyclohexyl)methyl]-3-(3-methylphenyl)urea
CID 60969768
2-(4-methoxyanilino)-2-(oxolan-3-yl)acetonitrile
CID 54886831
2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone
CID 175083337

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(4-methylanilino)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(4-methylanilino)acetonitrile (CID 54886450) is 2-cyclohexyl-2-(4-methylanilino)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(4-methylanilino)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(4-methylanilino)acetonitrile is Cc1ccc(NC(C#N)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-2-(4-methylanilino)acetonitrile?
The InChIKey is PCVJHIDBTKSOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-7-9-14(10-8-12)17-15(11-16)13-5-3-2-4-6-13/h7-10,13,15,17H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-2-(4-methylanilino)acetonitrile?
2-cyclohexyl-2-(4-methylanilino)acetonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4-methylanilino)acetonitrile is sourced from PubChem (CID 54886450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).