1-(4-methylpentan-2-yl)-1,3-diazinan-2-one

C10H20N2O — CID 115370936

IUPAC1-(4-methylpentan-2-yl)-1,3-diazinan-2-one
SMILESCC(C)CC(C)N1CCCNC1=O
InChIInChI=1S/C10H20N2O/c1-8(2)7-9(3)12-6-4-5-11-10(12)13/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyBOQIOKKPSUXFQD-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.84
Rot. Bonds3

About 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one

1-(4-methylpentan-2-yl)-1,3-diazinan-2-one (PubChem CID 115370936) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-methylpentan-2-yl)-1,3-diazinan-2-one
PubChem CID115370936
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(4-methylpentan-2-yl)-1,3-diazinan-2-one
SMILESCC(C)CC(C)N1CCCNC1=O
InChIInChI=1S/C10H20N2O/c1-8(2)7-9(3)12-6-4-5-11-10(12)13/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyBOQIOKKPSUXFQD-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-methylhexan-2-yl)-1,3-diazinan-2-one
CID 115370924
1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one
CID 115371151
1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one
CID 143382983
1-(1-aminopropan-2-yl)imidazolidin-2-one
CID 63730519
3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanal
CID 143176863
1-(1-hydroxy-4-methylpentan-2-yl)imidazolidin-2-one
CID 104549237
methane;1-(2-methylpropyl)-1,3-diazinan-2-one
CID 158406358
ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one
CID 142006413
N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide
CID 115371098
1-ethyl-1,3-diazinan-2-one
CID 21479220
1-(1-cyclopropylpropan-2-yl)imidazolidin-2-one
CID 115370687
1-hexan-2-ylimidazolidin-2-one
CID 115370621

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one (CID 115370936) is 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one is CC(C)CC(C)N1CCCNC1=O.
What is the InChIKey of 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one?
The InChIKey is BOQIOKKPSUXFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)7-9(3)12-6-4-5-11-10(12)13/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one?
1-(4-methylpentan-2-yl)-1,3-diazinan-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).