1-(3-methylpentan-3-yl)-1,3-diazinan-2-one

C10H20N2O — CID 106329255

IUPAC1-(3-methylpentan-3-yl)-1,3-diazinan-2-one
SMILESCCC(C)(CC)N1CCCNC1=O
InChIInChI=1S/C10H20N2O/c1-4-10(3,5-2)12-8-6-7-11-9(12)13/h4-8H2,1-3H3,(H,11,13)
InChIKeyJTTYVYNLGAFXDN-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.98
Rot. Bonds3

About 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one

1-(3-methylpentan-3-yl)-1,3-diazinan-2-one (PubChem CID 106329255) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)-1,3-diazinan-2-one
PubChem CID106329255
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3-methylpentan-3-yl)-1,3-diazinan-2-one
SMILESCCC(C)(CC)N1CCCNC1=O
InChIInChI=1S/C10H20N2O/c1-4-10(3,5-2)12-8-6-7-11-9(12)13/h4-8H2,1-3H3,(H,11,13)
InChIKeyJTTYVYNLGAFXDN-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
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3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one (CID 106329255) is 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one is CCC(C)(CC)N1CCCNC1=O.
What is the InChIKey of 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one?
The InChIKey is JTTYVYNLGAFXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-10(3,5-2)12-8-6-7-11-9(12)13/h4-8H2,1-3H3,(H,11,13).
What are the key properties of 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one?
1-(3-methylpentan-3-yl)-1,3-diazinan-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 106329255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).