1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one

C11H22N2O — CID 176833828

IUPAC1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one
SMILESCC1NNCC(C(=O)C(C)(C)C)C1C
InChIInChI=1S/C11H22N2O/c1-7-8(2)13-12-6-9(7)10(14)11(3,4)5/h7-9,12-13H,6H2,1-5H3
InChIKeyZWJNCDYUOAQEAE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.35
Rot. Bonds1

About 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one

1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 176833828) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one
PubChem CID176833828
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one
SMILESCC1NNCC(C(=O)C(C)(C)C)C1C
InChIInChI=1S/C11H22N2O/c1-7-8(2)13-12-6-9(7)10(14)11(3,4)5/h7-9,12-13H,6H2,1-5H3
InChIKeyZWJNCDYUOAQEAE-UHFFFAOYSA-N
XLogP1.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one (CID 176833828) is 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one is CC1NNCC(C(=O)C(C)(C)C)C1C.
What is the InChIKey of 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is ZWJNCDYUOAQEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-8(2)13-12-6-9(7)10(14)11(3,4)5/h7-9,12-13H,6H2,1-5H3.
What are the key properties of 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one?
1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).