7-methyl-3H-azepine

C7H9N — CID 54349818

IUPAC7-methyl-3H-azepine
SMILESCC1=CC=CCC=N1
InChIInChI=1S/C7H9N/c1-7-5-3-2-4-6-8-7/h2-3,5-6H,4H2,1H3
InChIKeyUEXYBMRCIKTTLU-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.92
Rot. Bonds

About 7-methyl-3H-azepine

7-methyl-3H-azepine (PubChem CID 54349818) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 7-methyl-3H-azepine.

Molecular Properties

Compound Name7-methyl-3H-azepine
PubChem CID54349818
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name7-methyl-3H-azepine
SMILESCC1=CC=CCC=N1
InChIInChI=1S/C7H9N/c1-7-5-3-2-4-6-8-7/h2-3,5-6H,4H2,1H3
InChIKeyUEXYBMRCIKTTLU-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-methyl-3H-azepine 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

3H-Azepine
CID 21672373
2-methyl-3H-azepine
CID 23594836
7-fluoro-3-methyl-3H-azepine
CID 142952493
7-fluoro-3H-azepine
CID 147489741
6-methylidene-3H-pyridine
CID 45079589
2-Ethyl pyridyllithium
CID 129677973
7-propyl-3H-azepine
CID 14610141
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
5-ethyl-3H-pyrrole
CID 18717561
5-methyl-3H-pyrrole
CID 18736592
N-pent-2-en-3-ylethanimine
CID 20761973

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-azepine?
The IUPAC name of 7-methyl-3H-azepine (CID 54349818) is 7-methyl-3H-azepine.
What is the SMILES notation for 7-methyl-3H-azepine?
The canonical SMILES for 7-methyl-3H-azepine is CC1=CC=CCC=N1.
What is the InChIKey of 7-methyl-3H-azepine?
The InChIKey is UEXYBMRCIKTTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-7-5-3-2-4-6-8-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 7-methyl-3H-azepine?
7-methyl-3H-azepine has a molecular weight of 107.16 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-azepine is sourced from PubChem (CID 54349818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).