3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane

C19H30N2 — CID 64942935

IUPAC3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane
SMILESCC1CCC(N2CCCNC(C)(c3ccccc3)C2)CC1
InChIInChI=1S/C19H30N2/c1-16-9-11-18(12-10-16)21-14-6-13-20-19(2,15-21)17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3
InChIKeyUOAWBGWJSSFABD-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.78
Rot. Bonds2

About 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane

3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane (PubChem CID 64942935) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane.

Molecular Properties

Compound Name3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane
PubChem CID64942935
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane
SMILESCC1CCC(N2CCCNC(C)(c3ccccc3)C2)CC1
InChIInChI=1S/C19H30N2/c1-16-9-11-18(12-10-16)21-14-6-13-20-19(2,15-21)17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3
InChIKeyUOAWBGWJSSFABD-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane 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

3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane
CID 64950363
3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine
CID 107415536
1-(4-bromophenyl)-3-methyl-3-phenyl-1,4-diazepane
CID 64944364
1-(3,3-dimethylbutan-2-yl)-3-methyl-3-phenyl-1,4-diazepane
CID 104830168
3-methyl-1-(2-methylbutan-2-yl)-3-phenyl-1,4-diazepane
CID 64944879
1-hexan-2-yl-3-methyl-3-phenyl-1,4-diazepane
CID 64950353
1-(2-ethoxyethyl)-3-methyl-3-phenyl-1,4-diazepane
CID 64870128
1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
CID 64925110
1-benzyl-3,7-dimethyl-3-phenyl-1,4-diazepane
CID 64870439
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708
3-methyl-3-phenyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 64870129
1-(4-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64924864

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane?
The IUPAC name of 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane (CID 64942935) is 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane.
What is the SMILES notation for 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane?
The canonical SMILES for 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane is CC1CCC(N2CCCNC(C)(c3ccccc3)C2)CC1.
What is the InChIKey of 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane?
The InChIKey is UOAWBGWJSSFABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-9-11-18(12-10-16)21-14-6-13-20-19(2,15-21)17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane?
3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane has a molecular weight of 286.46 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylcyclohexyl)-3-phenyl-1,4-diazepane is sourced from PubChem (CID 64942935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).