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

C8H12N2 — CID 155445629

IUPAC5-ethyl-2-methyl-4H-1,3-diazepine
SMILESCCC1=CC=NC(C)=NC1
InChIInChI=1S/C8H12N2/c1-3-8-4-5-9-7(2)10-6-8/h4-5H,3,6H2,1-2H3
InChIKeyQWAMRXXTPWXMTG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.83
Rot. Bonds1

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

5-ethyl-2-methyl-4H-1,3-diazepine (PubChem CID 155445629) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4H-1,3-diazepine.

Molecular Properties

Compound Name5-ethyl-2-methyl-4H-1,3-diazepine
PubChem CID155445629
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-ethyl-2-methyl-4H-1,3-diazepine
SMILESCCC1=CC=NC(C)=NC1
InChIInChI=1S/C8H12N2/c1-3-8-4-5-9-7(2)10-6-8/h4-5H,3,6H2,1-2H3
InChIKeyQWAMRXXTPWXMTG-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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4H-1,3-diazepine?
The IUPAC name of 5-ethyl-2-methyl-4H-1,3-diazepine (CID 155445629) is 5-ethyl-2-methyl-4H-1,3-diazepine.
What is the SMILES notation for 5-ethyl-2-methyl-4H-1,3-diazepine?
The canonical SMILES for 5-ethyl-2-methyl-4H-1,3-diazepine is CCC1=CC=NC(C)=NC1.
What is the InChIKey of 5-ethyl-2-methyl-4H-1,3-diazepine?
The InChIKey is QWAMRXXTPWXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-8-4-5-9-7(2)10-6-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-4H-1,3-diazepine?
5-ethyl-2-methyl-4H-1,3-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 5-ethyl-2-methyl-4H-1,3-diazepine is sourced from PubChem (CID 155445629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).