4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine

C8H16N2 — CID 143464102

IUPAC4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine
SMILESCCN1CC=CN(C)CC1
InChIInChI=1S/C8H16N2/c1-3-10-6-4-5-9(2)7-8-10/h4-5H,3,6-8H2,1-2H3
InChIKeyPDWCUPAFXLIRCI-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.77
Rot. Bonds1

About 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine

4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine (PubChem CID 143464102) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine.

Molecular Properties

Compound Name4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine
PubChem CID143464102
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine
SMILESCCN1CC=CN(C)CC1
InChIInChI=1S/C8H16N2/c1-3-10-6-4-5-9(2)7-8-10/h4-5H,3,6-8H2,1-2H3
InChIKeyPDWCUPAFXLIRCI-UHFFFAOYSA-N
XLogP0.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-methyl-3,5-dihydro-2H-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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine?
The IUPAC name of 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine (CID 143464102) is 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine.
What is the SMILES notation for 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine?
The canonical SMILES for 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine is CCN1CC=CN(C)CC1.
What is the InChIKey of 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine?
The InChIKey is PDWCUPAFXLIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-10-6-4-5-9(2)7-8-10/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine?
4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine has a molecular weight of 140.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-3,5-dihydro-2H-1,4-diazepine is sourced from PubChem (CID 143464102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).