5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine

C8H14N2 — CID 118562952

IUPAC5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine
SMILESCCC1=C(C)CNCC=N1
InChIInChI=1S/C8H14N2/c1-3-8-7(2)6-9-4-5-10-8/h5,9H,3-4,6H2,1-2H3
InChIKeyYGZNJLZJWLVFKA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds1

About 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine

5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine (PubChem CID 118562952) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine.

Molecular Properties

Compound Name5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine
PubChem CID118562952
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine
SMILESCCC1=C(C)CNCC=N1
InChIInChI=1S/C8H14N2/c1-3-8-7(2)6-9-4-5-10-8/h5,9H,3-4,6H2,1-2H3
InChIKeyYGZNJLZJWLVFKA-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine?
The IUPAC name of 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine (CID 118562952) is 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine.
What is the SMILES notation for 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine?
The canonical SMILES for 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine is CCC1=C(C)CNCC=N1.
What is the InChIKey of 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine?
The InChIKey is YGZNJLZJWLVFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8-7(2)6-9-4-5-10-8/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine?
5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine is sourced from PubChem (CID 118562952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).