6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine

C8H15N — CID 20709215

IUPAC6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine
SMILESCC1=C(C)NCCCC1
InChIInChI=1S/C8H15N/c1-7-5-3-4-6-9-8(7)2/h9H,3-6H2,1-2H3
InChIKeyNMCVOPCQYBVXCJ-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.05
Rot. Bonds

About 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine

6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine (PubChem CID 20709215) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine.

Molecular Properties

Compound Name6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine
PubChem CID20709215
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine
SMILESCC1=C(C)NCCCC1
InChIInChI=1S/C8H15N/c1-7-5-3-4-6-9-8(7)2/h9H,3-6H2,1-2H3
InChIKeyNMCVOPCQYBVXCJ-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,7-dimethyl-2,3,4,5-tetrahydro-1H-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

5,6-Dimethyltetrahydropyridine
CID 22901330
2,3,4,5,6,7,8,9-Octahydro-1h-pyrido[4,3-b]azepine
CID 129739902
N-cyclohexyl-2-methylcyclohexen-1-amine
CID 20487829
5,6-dimethyl-2,3,4,7-tetrahydro-1H-azepine
CID 20709221
2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine
CID 21364076
N,2-dimethylcyclohexen-1-amine
CID 21720955
N,4-diethylhex-3-en-3-amine
CID 22251300
N-(1-cyclohexylideneethyl)propan-1-amine
CID 53921958
5,6-Di(propan-2-yl)-1,2,3,4-tetrahydropyridine
CID 57632390
5,6-Ditert-butyl-1,2,3,4-tetrahydropyridine
CID 58233704
2-methyl-N-[(2S)-3-methylbutan-2-yl]cyclohexen-1-amine
CID 59100099
4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole
CID 59163899

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine?
The IUPAC name of 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine (CID 20709215) is 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine.
What is the SMILES notation for 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine?
The canonical SMILES for 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine is CC1=C(C)NCCCC1.
What is the InChIKey of 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine?
The InChIKey is NMCVOPCQYBVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-5-3-4-6-9-8(7)2/h9H,3-6H2,1-2H3.
What are the key properties of 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine?
6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine has a molecular weight of 125.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine is sourced from PubChem (CID 20709215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).