3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one

C13H26N2O — CID 83255826

IUPAC3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
SMILESCCC1NC(C)(CC)C(=O)N1CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-7-10-14-13(6,8-2)11(16)15(10)9-12(3,4)5/h10,14H,7-9H2,1-6H3
InChIKeyWAGLUIKPDYXCDF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one

3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one (PubChem CID 83255826) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
PubChem CID83255826
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
SMILESCCC1NC(C)(CC)C(=O)N1CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-7-10-14-13(6,8-2)11(16)15(10)9-12(3,4)5/h10,14H,7-9H2,1-6H3
InChIKeyWAGLUIKPDYXCDF-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethyl-5-methyl-3-octylimidazolidin-4-one
CID 83260188
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
2,5-diethyl-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256120
3-[2-(dimethylamino)propyl]-2,5-diethyl-5-methylimidazolidin-4-one
CID 83250197
3-(3-cyclopentylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 106011271
3-(2-cyclopropylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 113476700
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260128
3-(2-cyclopentyloxyethyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 83257914
3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83237947
2,5-diethyl-3-hexan-3-yl-5-methylimidazolidin-4-one
CID 83252694
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one (CID 83255826) is 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one is CCC1NC(C)(CC)C(=O)N1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one?
The InChIKey is WAGLUIKPDYXCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-7-10-14-13(6,8-2)11(16)15(10)9-12(3,4)5/h10,14H,7-9H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one?
3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83255826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).