3,7-diethyl-4H-azepine

C10H15N — CID 91504685

IUPAC3,7-diethyl-4H-azepine
SMILESCCC1=CN=C(CC)C=CC1
InChIInChI=1S/C10H15N/c1-3-9-6-5-7-10(4-2)11-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyJBTODDIVXXVSMW-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds2

About 3,7-diethyl-4H-azepine

3,7-diethyl-4H-azepine (PubChem CID 91504685) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3,7-diethyl-4H-azepine.

Molecular Properties

Compound Name3,7-diethyl-4H-azepine
PubChem CID91504685
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3,7-diethyl-4H-azepine
SMILESCCC1=CN=C(CC)C=CC1
InChIInChI=1S/C10H15N/c1-3-9-6-5-7-10(4-2)11-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyJBTODDIVXXVSMW-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,7-diethyl-4H-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

4,6-Dihydroquinoline
CID 129722681
[1-fluoro-1-[3-(1-fluoroethyl)-4H-azepin-7-yl]propyl]phosphane
CID 137467737
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
3-ethyl-6-methyl-7-(trifluoromethyl)-4H-azepine
CID 156338583
6-fluoro-3,7-dimethyl-4H-azepine
CID 166836669
3-(1-fluorobutyl)-7-methyl-4H-azepine
CID 166991046
(2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine
CID 176922193
2,5-dimethyl-3H-azepine
CID 11819081
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
1-(3,6-difluoro-4-methylcyclohepta-1,3,6-trien-1-yl)-N-ethenylpropan-1-imine
CID 142120016
1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 144796412

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-4H-azepine?
The IUPAC name of 3,7-diethyl-4H-azepine (CID 91504685) is 3,7-diethyl-4H-azepine.
What is the SMILES notation for 3,7-diethyl-4H-azepine?
The canonical SMILES for 3,7-diethyl-4H-azepine is CCC1=CN=C(CC)C=CC1.
What is the InChIKey of 3,7-diethyl-4H-azepine?
The InChIKey is JBTODDIVXXVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-9-6-5-7-10(4-2)11-8-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 3,7-diethyl-4H-azepine?
3,7-diethyl-4H-azepine has a molecular weight of 149.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-4H-azepine is sourced from PubChem (CID 91504685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).