3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione

C10H18N2O2 — CID 21027146

IUPAC3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,3)5-6-12-8(13)7-11(4)9(12)14/h5-7H2,1-4H3
InChIKeyBNCBIXLVHLVEFK-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.32
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione

3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione (PubChem CID 21027146) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione
PubChem CID21027146
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,3)5-6-12-8(13)7-11(4)9(12)14/h5-7H2,1-4H3
InChIKeyBNCBIXLVHLVEFK-UHFFFAOYSA-N
XLogP1.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-(3,3-dimethylbutyl)-1-methylimidazolidine-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 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione (CID 21027146) is 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCC(C)(C)C)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is BNCBIXLVHLVEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)5-6-12-8(13)7-11(4)9(12)14/h5-7H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione?
3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 198.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 21027146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).