1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one

C9H18N2O — CID 176833953

IUPAC1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CNCNC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(12)7-4-10-6-11-5-7/h7,10-11H,4-6H2,1-3H3
InChIKeyFOYSIWJDOZOOFS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.37
Rot. Bonds1

About 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one

1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 176833953) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one
PubChem CID176833953
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CNCNC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(12)7-4-10-6-11-5-7/h7,10-11H,4-6H2,1-3H3
InChIKeyFOYSIWJDOZOOFS-UHFFFAOYSA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one (CID 176833953) is 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CNCNC1.
What is the InChIKey of 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is FOYSIWJDOZOOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8(12)7-4-10-6-11-5-7/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one?
1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diazinan-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).