4,7-dimethyl-3,4-dihydro-2H-azepine

C8H13N — CID 142083079

IUPAC4,7-dimethyl-3,4-dihydro-2H-azepine
SMILESCC1=NCCC(C)C=C1
InChIInChI=1S/C8H13N/c1-7-3-4-8(2)9-6-5-7/h3-4,7H,5-6H2,1-2H3
InChIKeyKUTLDLRTIRZNAQ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds

About 4,7-dimethyl-3,4-dihydro-2H-azepine

4,7-dimethyl-3,4-dihydro-2H-azepine (PubChem CID 142083079) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4,7-dimethyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name4,7-dimethyl-3,4-dihydro-2H-azepine
PubChem CID142083079
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4,7-dimethyl-3,4-dihydro-2H-azepine
SMILESCC1=NCCC(C)C=C1
InChIInChI=1S/C8H13N/c1-7-3-4-8(2)9-6-5-7/h3-4,7H,5-6H2,1-2H3
InChIKeyKUTLDLRTIRZNAQ-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,7-dimethyl-3,4-dihydro-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

Related Compounds

4-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-azepine
CID 137474084
3-Fluoro-6-propan-2-yl-2,3-dihydropyridine
CID 144060413
5-propan-2-yl-2H-pyrrole
CID 18736790
5-methyl-2-propan-2-yl-2H-pyrrole
CID 59151241
5-methyl-3-propan-2-yl-2H-pyrrole
CID 60081031
(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 67991604
4-methyl-3,4-dihydro-2H-azepine
CID 68099595
3-methyl-3,4-dihydro-2H-azepine
CID 68099596
7-methyl-3,4-dihydro-2H-azepine
CID 68099599
3,6-Dimethyl-2,3-dihydropyridine
CID 68102669
(3R)-2,3,6-trimethyl-2,3-dihydropyridine
CID 68330511
6-Propan-2-yl-2,3-dihydropyridine
CID 70224591

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3,4-dihydro-2H-azepine?
The IUPAC name of 4,7-dimethyl-3,4-dihydro-2H-azepine (CID 142083079) is 4,7-dimethyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 4,7-dimethyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 4,7-dimethyl-3,4-dihydro-2H-azepine is CC1=NCCC(C)C=C1.
What is the InChIKey of 4,7-dimethyl-3,4-dihydro-2H-azepine?
The InChIKey is KUTLDLRTIRZNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-3-4-8(2)9-6-5-7/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4,7-dimethyl-3,4-dihydro-2H-azepine?
4,7-dimethyl-3,4-dihydro-2H-azepine has a molecular weight of 123.20 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 142083079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).