5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione

C10H18N2O2 — CID 79777247

IUPAC5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione
SMILESCCCC(C)N1CC(C)C(=O)NC1=O
InChIInChI=1S/C10H18N2O2/c1-4-5-8(3)12-6-7(2)9(13)11-10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyLOKGJKHZOXAXPM-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.36
Rot. Bonds3

About 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione

5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 79777247) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione
PubChem CID79777247
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione
SMILESCCCC(C)N1CC(C)C(=O)NC1=O
InChIInChI=1S/C10H18N2O2/c1-4-5-8(3)12-6-7(2)9(13)11-10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyLOKGJKHZOXAXPM-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione 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 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione (CID 79777247) is 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione is CCCC(C)N1CC(C)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is LOKGJKHZOXAXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-8(3)12-6-7(2)9(13)11-10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13,14).
What are the key properties of 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione?
5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 198.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).