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

C9H14N2 — CID 178015743

IUPAC2-ethyl-5,5-dimethyl-1,4-diazepine
SMILESCCC1=NC=CC(C)(C)N=C1
InChIInChI=1S/C9H14N2/c1-4-8-7-11-9(2,3)5-6-10-8/h5-7H,4H2,1-3H3
InChIKeyRMJGLCQALQXQMG-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds1

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

2-ethyl-5,5-dimethyl-1,4-diazepine (PubChem CID 178015743) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1,4-diazepine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1,4-diazepine
PubChem CID178015743
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethyl-5,5-dimethyl-1,4-diazepine
SMILESCCC1=NC=CC(C)(C)N=C1
InChIInChI=1S/C9H14N2/c1-4-8-7-11-9(2,3)5-6-10-8/h5-7H,4H2,1-3H3
InChIKeyRMJGLCQALQXQMG-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1,4-diazepine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1,4-diazepine (CID 178015743) is 2-ethyl-5,5-dimethyl-1,4-diazepine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1,4-diazepine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1,4-diazepine is CCC1=NC=CC(C)(C)N=C1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1,4-diazepine?
The InChIKey is RMJGLCQALQXQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8-7-11-9(2,3)5-6-10-8/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1,4-diazepine?
2-ethyl-5,5-dimethyl-1,4-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1,4-diazepine is sourced from PubChem (CID 178015743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).