7-ethyl-6-propyl-3,4-dihydro-2H-azepine

C11H19N — CID 123220323

IUPAC7-ethyl-6-propyl-3,4-dihydro-2H-azepine
SMILESCCCC1=CCCCN=C1CC
InChIInChI=1S/C11H19N/c1-3-7-10-8-5-6-9-12-11(10)4-2/h8H,3-7,9H2,1-2H3
InChIKeyQPTPNIDWZRFCSY-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.36
Rot. Bonds3

About 7-ethyl-6-propyl-3,4-dihydro-2H-azepine

7-ethyl-6-propyl-3,4-dihydro-2H-azepine (PubChem CID 123220323) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 7-ethyl-6-propyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name7-ethyl-6-propyl-3,4-dihydro-2H-azepine
PubChem CID123220323
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name7-ethyl-6-propyl-3,4-dihydro-2H-azepine
SMILESCCCC1=CCCCN=C1CC
InChIInChI=1S/C11H19N/c1-3-7-10-8-5-6-9-12-11(10)4-2/h8H,3-7,9H2,1-2H3
InChIKeyQPTPNIDWZRFCSY-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-ethyl-6-propyl-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

Lanopylin B1
CID 10087332
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
Lanopylin B2
CID 11279421
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
Koreenceine A
CID 146683591
Azabicyclononene
CID 67125311
Azabi-cyclooctene
CID 67389294
Azabicyclohexene
CID 67825525
Azabicycloheptene
CID 68526712
3-(1-fluorobutyl)-7-methyl-4H-azepine
CID 166991046
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
1-(cyclohexen-1-yl)-N-cyclohexylethanimine
CID 11148422

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-propyl-3,4-dihydro-2H-azepine?
The IUPAC name of 7-ethyl-6-propyl-3,4-dihydro-2H-azepine (CID 123220323) is 7-ethyl-6-propyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 7-ethyl-6-propyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 7-ethyl-6-propyl-3,4-dihydro-2H-azepine is CCCC1=CCCCN=C1CC.
What is the InChIKey of 7-ethyl-6-propyl-3,4-dihydro-2H-azepine?
The InChIKey is QPTPNIDWZRFCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-7-10-8-5-6-9-12-11(10)4-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 7-ethyl-6-propyl-3,4-dihydro-2H-azepine?
7-ethyl-6-propyl-3,4-dihydro-2H-azepine has a molecular weight of 165.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-propyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 123220323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).