3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one

C12H24N2O — CID 104830799

IUPAC3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
SMILESCCC1NC(C)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C12H24N2O/c1-7-10-11(15)14(9(3)13-10)8(2)12(4,5)6/h8-10,13H,7H2,1-6H3
InChIKeyYIEQFXLAHFLTHY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.98
Rot. Bonds2

About 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one (PubChem CID 104830799) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
PubChem CID104830799
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
SMILESCCC1NC(C)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C12H24N2O/c1-7-10-11(15)14(9(3)13-10)8(2)12(4,5)6/h8-10,13H,7H2,1-6H3
InChIKeyYIEQFXLAHFLTHY-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104830803
3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 114983573
3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
CID 83264381
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one
CID 104830708
5-ethyl-3-(1-methoxypentan-2-yl)-2-methylimidazolidin-4-one
CID 83263467
3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one
CID 104830759
5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one
CID 83248231
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246045
5-ethyl-3-(3-methoxy-2-methylpropyl)-2-methylimidazolidin-4-one
CID 83249809
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
CID 83252812

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one (CID 104830799) is 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one is CCC1NC(C)N(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one?
The InChIKey is YIEQFXLAHFLTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-7-10-11(15)14(9(3)13-10)8(2)12(4,5)6/h8-10,13H,7H2,1-6H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one has a molecular weight of 212.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one is sourced from PubChem (CID 104830799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).