6-methyl-2H-azepine

C7H9N — CID 137487568

IUPAC6-methyl-2H-azepine
SMILESCC1=CC=CCN=C1
InChIInChI=1S/C7H9N/c1-7-4-2-3-5-8-6-7/h2-4,6H,5H2,1H3
InChIKeyQXQBBZNJLNPGTB-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.57
Rot. Bonds

About 6-methyl-2H-azepine

6-methyl-2H-azepine (PubChem CID 137487568) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 6-methyl-2H-azepine.

Molecular Properties

Compound Name6-methyl-2H-azepine
PubChem CID137487568
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name6-methyl-2H-azepine
SMILESCC1=CC=CCN=C1
InChIInChI=1S/C7H9N/c1-7-4-2-3-5-8-6-7/h2-4,6H,5H2,1H3
InChIKeyQXQBBZNJLNPGTB-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-2H-azepine 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 6-methyl-2H-azepine?
The IUPAC name of 6-methyl-2H-azepine (CID 137487568) is 6-methyl-2H-azepine.
What is the SMILES notation for 6-methyl-2H-azepine?
The canonical SMILES for 6-methyl-2H-azepine is CC1=CC=CCN=C1.
What is the InChIKey of 6-methyl-2H-azepine?
The InChIKey is QXQBBZNJLNPGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-7-4-2-3-5-8-6-7/h2-4,6H,5H2,1H3.
What are the key properties of 6-methyl-2H-azepine?
6-methyl-2H-azepine has a molecular weight of 107.16 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-azepine is sourced from PubChem (CID 137487568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).