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

C15H24N2 — CID 64737972

IUPAC4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine
SMILESCC1CCC(N(C)c2ccc(N)cc2)CC1C
InChIInChI=1S/C15H24N2/c1-11-4-7-15(10-12(11)2)17(3)14-8-5-13(16)6-9-14/h5-6,8-9,11-12,15H,4,7,10,16H2,1-3H3
InChIKeyOAGOMMBILKKSGT-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.53
Rot. Bonds2

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

4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine (PubChem CID 64737972) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine
PubChem CID64737972
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine
SMILESCC1CCC(N(C)c2ccc(N)cc2)CC1C
InChIInChI=1S/C15H24N2/c1-11-4-7-15(10-12(11)2)17(3)14-8-5-13(16)6-9-14/h5-6,8-9,11-12,15H,4,7,10,16H2,1-3H3
InChIKeyOAGOMMBILKKSGT-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine 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 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine (CID 64737972) is 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine is CC1CCC(N(C)c2ccc(N)cc2)CC1C.
What is the InChIKey of 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is OAGOMMBILKKSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-4-7-15(10-12(11)2)17(3)14-8-5-13(16)6-9-14/h5-6,8-9,11-12,15H,4,7,10,16H2,1-3H3.
What are the key properties of 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine?
4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 64737972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).