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

C11H22N2O — CID 115370924

IUPAC1-(5-methylhexan-2-yl)-1,3-diazinan-2-one
SMILESCC(C)CCC(C)N1CCCNC1=O
InChIInChI=1S/C11H22N2O/c1-9(2)5-6-10(3)13-8-4-7-12-11(13)14/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyQDUCXPURXGIPHE-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds4

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

1-(5-methylhexan-2-yl)-1,3-diazinan-2-one (PubChem CID 115370924) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(5-methylhexan-2-yl)-1,3-diazinan-2-one
PubChem CID115370924
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(5-methylhexan-2-yl)-1,3-diazinan-2-one
SMILESCC(C)CCC(C)N1CCCNC1=O
InChIInChI=1S/C11H22N2O/c1-9(2)5-6-10(3)13-8-4-7-12-11(13)14/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyQDUCXPURXGIPHE-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one (CID 115370924) is 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one is CC(C)CCC(C)N1CCCNC1=O.
What is the InChIKey of 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one?
The InChIKey is QDUCXPURXGIPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)5-6-10(3)13-8-4-7-12-11(13)14/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one?
1-(5-methylhexan-2-yl)-1,3-diazinan-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).