2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one

C11H21N3O — CID 78228721

IUPAC2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one
SMILESCC1CC(=O)NC(N2CCCCCC2)N1
InChIInChI=1S/C11H21N3O/c1-9-8-10(15)13-11(12-9)14-6-4-2-3-5-7-14/h9,11-12H,2-8H2,1H3,(H,13,15)
InChIKeyLGBLDCVGVNERDX-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.64
Rot. Bonds1

About 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one

2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one (PubChem CID 78228721) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one
PubChem CID78228721
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one
SMILESCC1CC(=O)NC(N2CCCCCC2)N1
InChIInChI=1S/C11H21N3O/c1-9-8-10(15)13-11(12-9)14-6-4-2-3-5-7-14/h9,11-12H,2-8H2,1H3,(H,13,15)
InChIKeyLGBLDCVGVNERDX-UHFFFAOYSA-N
XLogP0.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(azocan-1-yl)piperidin-2-one
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2,6-dimethylpiperidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one?
The IUPAC name of 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one (CID 78228721) is 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one?
The canonical SMILES for 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one is CC1CC(=O)NC(N2CCCCCC2)N1.
What is the InChIKey of 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one?
The InChIKey is LGBLDCVGVNERDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-8-10(15)13-11(12-9)14-6-4-2-3-5-7-14/h9,11-12H,2-8H2,1H3,(H,13,15).
What are the key properties of 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one?
2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one has a molecular weight of 211.31 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 78228721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).