7-ethyl-2-methyl-5H-1,4-diazepine

C8H12N2 — CID 130419040

IUPAC7-ethyl-2-methyl-5H-1,4-diazepine
SMILESCCC1=CCN=CC(C)=N1
InChIInChI=1S/C8H12N2/c1-3-8-4-5-9-6-7(2)10-8/h4,6H,3,5H2,1-2H3
InChIKeyWCDAXPHXPUDUBP-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.83
Rot. Bonds1

About 7-ethyl-2-methyl-5H-1,4-diazepine

7-ethyl-2-methyl-5H-1,4-diazepine (PubChem CID 130419040) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 7-ethyl-2-methyl-5H-1,4-diazepine.

Molecular Properties

Compound Name7-ethyl-2-methyl-5H-1,4-diazepine
PubChem CID130419040
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name7-ethyl-2-methyl-5H-1,4-diazepine
SMILESCCC1=CCN=CC(C)=N1
InChIInChI=1S/C8H12N2/c1-3-8-4-5-9-6-7(2)10-8/h4,6H,3,5H2,1-2H3
InChIKeyWCDAXPHXPUDUBP-UHFFFAOYSA-N
XLogP1.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-2-methyl-5H-1,4-diazepine 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-ethyl-3H-pyrrole
CID 18717561
N-pent-2-en-3-ylethanimine
CID 20761973
7-ethyl-4,5-dihydro-3H-azepine
CID 57035452
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
7-methyl-4,5-dihydro-3H-azepine
CID 68099619
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
N-[(Z)-pent-2-en-3-yl]ethanimine
CID 89115805
5,7-dimethyl-2H-1,4-diazepine
CID 89171243
N-[(Z)-pent-2-en-2-yl]ethanimine
CID 89204366
N-[(Z)-pent-2-en-2-yl]butan-1-imine
CID 90048520
ethane;5-methyl-3H-pyrrole
CID 90690272
7-ethyl-3H-azepine
CID 90892795

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-5H-1,4-diazepine?
The IUPAC name of 7-ethyl-2-methyl-5H-1,4-diazepine (CID 130419040) is 7-ethyl-2-methyl-5H-1,4-diazepine.
What is the SMILES notation for 7-ethyl-2-methyl-5H-1,4-diazepine?
The canonical SMILES for 7-ethyl-2-methyl-5H-1,4-diazepine is CCC1=CCN=CC(C)=N1.
What is the InChIKey of 7-ethyl-2-methyl-5H-1,4-diazepine?
The InChIKey is WCDAXPHXPUDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-8-4-5-9-6-7(2)10-8/h4,6H,3,5H2,1-2H3.
What are the key properties of 7-ethyl-2-methyl-5H-1,4-diazepine?
7-ethyl-2-methyl-5H-1,4-diazepine has a molecular weight of 136.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-5H-1,4-diazepine is sourced from PubChem (CID 130419040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).