5-ethyl-2,6-dimethyl-6H-1,4-diazepine

C9H14N2 — CID 166484129

IUPAC5-ethyl-2,6-dimethyl-6H-1,4-diazepine
SMILESCCC1=NC=C(C)N=CC1C
InChIInChI=1S/C9H14N2/c1-4-9-7(2)5-10-8(3)6-11-9/h5-7H,4H2,1-3H3
InChIKeyZOPZWWZHRGYNIX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.42
Rot. Bonds1

About 5-ethyl-2,6-dimethyl-6H-1,4-diazepine

5-ethyl-2,6-dimethyl-6H-1,4-diazepine (PubChem CID 166484129) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-ethyl-2,6-dimethyl-6H-1,4-diazepine.

Molecular Properties

Compound Name5-ethyl-2,6-dimethyl-6H-1,4-diazepine
PubChem CID166484129
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-ethyl-2,6-dimethyl-6H-1,4-diazepine
SMILESCCC1=NC=C(C)N=CC1C
InChIInChI=1S/C9H14N2/c1-4-9-7(2)5-10-8(3)6-11-9/h5-7H,4H2,1-3H3
InChIKeyZOPZWWZHRGYNIX-UHFFFAOYSA-N
XLogP2.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,6-dimethyl-6H-1,4-diazepine?
The IUPAC name of 5-ethyl-2,6-dimethyl-6H-1,4-diazepine (CID 166484129) is 5-ethyl-2,6-dimethyl-6H-1,4-diazepine.
What is the SMILES notation for 5-ethyl-2,6-dimethyl-6H-1,4-diazepine?
The canonical SMILES for 5-ethyl-2,6-dimethyl-6H-1,4-diazepine is CCC1=NC=C(C)N=CC1C.
What is the InChIKey of 5-ethyl-2,6-dimethyl-6H-1,4-diazepine?
The InChIKey is ZOPZWWZHRGYNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9-7(2)5-10-8(3)6-11-9/h5-7H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,6-dimethyl-6H-1,4-diazepine?
5-ethyl-2,6-dimethyl-6H-1,4-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,6-dimethyl-6H-1,4-diazepine is sourced from PubChem (CID 166484129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).