2-(cyclohexylmethylamino)-4-methylbenzonitrile

C15H20N2 — CID 62308973

IUPAC2-(cyclohexylmethylamino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NCC2CCCCC2)c1
InChIInChI=1S/C15H20N2/c1-12-7-8-14(10-16)15(9-12)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,11H2,1H3
InChIKeyDNHHBXOGDZHJKF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.86
Rot. Bonds3

About 2-(cyclohexylmethylamino)-4-methylbenzonitrile

2-(cyclohexylmethylamino)-4-methylbenzonitrile (PubChem CID 62308973) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-4-methylbenzonitrile
PubChem CID62308973
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-(cyclohexylmethylamino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NCC2CCCCC2)c1
InChIInChI=1S/C15H20N2/c1-12-7-8-14(10-16)15(9-12)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,11H2,1H3
InChIKeyDNHHBXOGDZHJKF-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylmethylamino)-4-methylbenzonitrile 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 2-(cyclohexylmethylamino)-4-methylbenzonitrile?
The IUPAC name of 2-(cyclohexylmethylamino)-4-methylbenzonitrile (CID 62308973) is 2-(cyclohexylmethylamino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(cyclohexylmethylamino)-4-methylbenzonitrile?
The canonical SMILES for 2-(cyclohexylmethylamino)-4-methylbenzonitrile is Cc1ccc(C#N)c(NCC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylmethylamino)-4-methylbenzonitrile?
The InChIKey is DNHHBXOGDZHJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-7-8-14(10-16)15(9-12)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,11H2,1H3.
What are the key properties of 2-(cyclohexylmethylamino)-4-methylbenzonitrile?
2-(cyclohexylmethylamino)-4-methylbenzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-4-methylbenzonitrile is sourced from PubChem (CID 62308973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).