1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane

C15H24N2 — CID 64870777

IUPAC1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
SMILESCc1cc(C)cc(CN2CCNCCC2C)c1
InChIInChI=1S/C15H24N2/c1-12-8-13(2)10-15(9-12)11-17-7-6-16-5-4-14(17)3/h8-10,14,16H,4-7,11H2,1-3H3
InChIKeyJXIVGSKNXLHXAX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane

1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane (PubChem CID 64870777) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
PubChem CID64870777
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
SMILESCc1cc(C)cc(CN2CCNCCC2C)c1
InChIInChI=1S/C15H24N2/c1-12-8-13(2)10-15(9-12)11-17-7-6-16-5-4-14(17)3/h8-10,14,16H,4-7,11H2,1-3H3
InChIKeyJXIVGSKNXLHXAX-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3,5-dimethylphenyl)methyl]-7-methyl-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane (CID 64870777) is 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane is Cc1cc(C)cc(CN2CCNCCC2C)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane?
The InChIKey is JXIVGSKNXLHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-8-13(2)10-15(9-12)11-17-7-6-16-5-4-14(17)3/h8-10,14,16H,4-7,11H2,1-3H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane?
1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane has a molecular weight of 232.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane is sourced from PubChem (CID 64870777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).