1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine

C15H24N2 — CID 64738718

IUPAC1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
SMILESCc1ccc(NC2CCC(C)C(C)C2)cc1N
InChIInChI=1S/C15H24N2/c1-10-4-6-13(8-12(10)3)17-14-7-5-11(2)15(16)9-14/h5,7,9-10,12-13,17H,4,6,8,16H2,1-3H3
InChIKeyXQQUCGVFHPCAFR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.81
Rot. Bonds2

About 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine

1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine (PubChem CID 64738718) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
PubChem CID64738718
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
SMILESCc1ccc(NC2CCC(C)C(C)C2)cc1N
InChIInChI=1S/C15H24N2/c1-10-4-6-13(8-12(10)3)17-14-7-5-11(2)15(16)9-14/h5,7,9-10,12-13,17H,4,6,8,16H2,1-3H3
InChIKeyXQQUCGVFHPCAFR-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine 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-amino-5-[(3,4-dimethylcyclohexyl)amino]benzonitrile
CID 113324010
4-[(3,4-dimethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81282708
4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 63278049
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
2-N-(3,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83266556
4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 107571712
4-methyl-1-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65472351
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
4-chloro-N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64731814
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604
1-N-(3,4-dimethylcyclohexyl)-4-iodobenzene-1,2-diamine
CID 66082123
[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
CID 64744825

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine (CID 64738718) is 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine is Cc1ccc(NC2CCC(C)C(C)C2)cc1N.
What is the InChIKey of 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine?
The InChIKey is XQQUCGVFHPCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-4-6-13(8-12(10)3)17-14-7-5-11(2)15(16)9-14/h5,7,9-10,12-13,17H,4,6,8,16H2,1-3H3.
What are the key properties of 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine?
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 64738718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).