3-methyl-N-(4-methylphenyl)cyclohexan-1-imine

C14H19N — CID 19962587

IUPAC3-methyl-N-(4-methylphenyl)cyclohexan-1-imine
SMILESCc1ccc(/N=C2\CCCC(C)C2)cc1
InChIInChI=1S/C14H19N/c1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14/h6-9,12H,3-5,10H2,1-2H3/b15-14+
InChIKeyUTRKXPAHTIHDIH-CCEZHUSRSA-N
MW201.31 g/mol
LogP4.28
Rot. Bonds1

About 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine

3-methyl-N-(4-methylphenyl)cyclohexan-1-imine (PubChem CID 19962587) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)cyclohexan-1-imine
PubChem CID19962587
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-methyl-N-(4-methylphenyl)cyclohexan-1-imine
SMILESCc1ccc(/N=C2\CCCC(C)C2)cc1
InChIInChI=1S/C14H19N/c1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14/h6-9,12H,3-5,10H2,1-2H3/b15-14+
InChIKeyUTRKXPAHTIHDIH-CCEZHUSRSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine 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-methyl-N-(4-methylphenyl)cyclohexan-1-imine?
The IUPAC name of 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine (CID 19962587) is 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine is Cc1ccc(/N=C2\CCCC(C)C2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine?
The InChIKey is UTRKXPAHTIHDIH-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H19N/c1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14/h6-9,12H,3-5,10H2,1-2H3/b15-14+.
What are the key properties of 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine?
3-methyl-N-(4-methylphenyl)cyclohexan-1-imine has a molecular weight of 201.31 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)cyclohexan-1-imine is sourced from PubChem (CID 19962587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).