7-ethyl-3,3-dimethylazepine

C10H15N — CID 91365454

IUPAC7-ethyl-3,3-dimethylazepine
SMILESCCC1=CC=CC(C)(C)C=N1
InChIInChI=1S/C10H15N/c1-4-9-6-5-7-10(2,3)8-11-9/h5-8H,4H2,1-3H3
InChIKeyBJZILLOPJBUCSF-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds1

About 7-ethyl-3,3-dimethylazepine

7-ethyl-3,3-dimethylazepine (PubChem CID 91365454) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 7-ethyl-3,3-dimethylazepine.

Molecular Properties

Compound Name7-ethyl-3,3-dimethylazepine
PubChem CID91365454
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name7-ethyl-3,3-dimethylazepine
SMILESCCC1=CC=CC(C)(C)C=N1
InChIInChI=1S/C10H15N/c1-4-9-6-5-7-10(2,3)8-11-9/h5-8H,4H2,1-3H3
InChIKeyBJZILLOPJBUCSF-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-ethyl-3,3-dimethylazepine 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-Fluoro-3,3-dimethylazepine
CID 143657985
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
CID 142913217
3-Methyl-3-(trifluoromethyl)azepine
CID 162585741
7-propyl-3H-azepine
CID 14610141
7-methyl-3H-azepine
CID 54349818
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
3,3,5-Trimethylazepine
CID 68264481
3,3-Dimethylazepine
CID 69925035
8,8-Dimethylpyridazino[4,3-c]azepine
CID 70325137
7-[(1Z)-buta-1,3-dienyl]-6-methyl-3H-azepine
CID 88243648
N-[(3E,5Z)-hepta-3,5-dien-3-yl]ethanimine
CID 88547836

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,3-dimethylazepine?
The IUPAC name of 7-ethyl-3,3-dimethylazepine (CID 91365454) is 7-ethyl-3,3-dimethylazepine.
What is the SMILES notation for 7-ethyl-3,3-dimethylazepine?
The canonical SMILES for 7-ethyl-3,3-dimethylazepine is CCC1=CC=CC(C)(C)C=N1.
What is the InChIKey of 7-ethyl-3,3-dimethylazepine?
The InChIKey is BJZILLOPJBUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-9-6-5-7-10(2,3)8-11-9/h5-8H,4H2,1-3H3.
What are the key properties of 7-ethyl-3,3-dimethylazepine?
7-ethyl-3,3-dimethylazepine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,3-dimethylazepine is sourced from PubChem (CID 91365454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).