3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one

C13H26N2O — CID 103466875

IUPAC3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one
SMILESCCC1NC(CC)N(CC(C)(C)CC)C1=O
InChIInChI=1S/C13H26N2O/c1-6-10-12(16)15(11(7-2)14-10)9-13(4,5)8-3/h10-11,14H,6-9H2,1-5H3
InChIKeyCCGQTZYAXGUOKO-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds5

About 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one

3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one (PubChem CID 103466875) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one
PubChem CID103466875
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one
SMILESCCC1NC(CC)N(CC(C)(C)CC)C1=O
InChIInChI=1S/C13H26N2O/c1-6-10-12(16)15(11(7-2)14-10)9-13(4,5)8-3/h10-11,14H,6-9H2,1-5H3
InChIKeyCCGQTZYAXGUOKO-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83236927
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83237333
3-[2-(dimethylamino)-2-methylpropyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83253533
5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
CID 83258702
2,5-diethyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250866
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
CID 107819252
2-ethyl-5-propyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260860
5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 103466816
3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one
CID 83255170
3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one
CID 107165674
5-butyl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767723
2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
CID 114102621

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one (CID 103466875) is 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one is CCC1NC(CC)N(CC(C)(C)CC)C1=O.
What is the InChIKey of 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one?
The InChIKey is CCGQTZYAXGUOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-10-12(16)15(11(7-2)14-10)9-13(4,5)8-3/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one?
3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one is sourced from PubChem (CID 103466875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).