3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one

C15H30N2O — CID 83259462

IUPAC3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)(CC)C(=O)N1CC(C)C(C)C
InChIInChI=1S/C15H30N2O/c1-7-9-13-16-15(6,8-2)14(18)17(13)10-12(5)11(3)4/h11-13,16H,7-10H2,1-6H3
InChIKeyPLEQGOAZNQEIPU-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.01
Rot. Bonds6

About 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one

3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one (PubChem CID 83259462) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
PubChem CID83259462
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)(CC)C(=O)N1CC(C)C(C)C
InChIInChI=1S/C15H30N2O/c1-7-9-13-16-15(6,8-2)14(18)17(13)10-12(5)11(3)4/h11-13,16H,7-10H2,1-6H3
InChIKeyPLEQGOAZNQEIPU-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dicyclopropylethyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83258273
5-ethyl-5-methyl-3-(4-methylpentyl)-2-propylimidazolidin-4-one
CID 83255455
5-ethyl-5-methyl-2-propyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252241
3-[2-(dimethylamino)propyl]-2,5-diethyl-5-methylimidazolidin-4-one
CID 83250197
5-ethyl-5-methyl-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256448
5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260128
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259458
3-(2-cyclopropylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 113476700
5-ethyl-5-methyl-3-[(3-methylcyclopentyl)methyl]-2-propylimidazolidin-4-one
CID 107416112
5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 106000174
5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271309
5-ethyl-5-methyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916100

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one (CID 83259462) is 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one is CCCC1NC(C)(CC)C(=O)N1CC(C)C(C)C.
What is the InChIKey of 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one?
The InChIKey is PLEQGOAZNQEIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-7-9-13-16-15(6,8-2)14(18)17(13)10-12(5)11(3)4/h11-13,16H,7-10H2,1-6H3.
What are the key properties of 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one?
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one has a molecular weight of 254.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83259462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).