3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one

C13H26N2O — CID 104830706

IUPAC3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NCN(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-9(2)7-11-12(16)15(8-14-11)10(3)13(4,5)6/h9-11,14H,7-8H2,1-6H3
InChIKeyXMWHMWNWXHYUEB-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.22
Rot. Bonds3

About 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 104830706) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID104830706
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NCN(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-9(2)7-11-12(16)15(8-14-11)10(3)13(4,5)6/h9-11,14H,7-8H2,1-6H3
InChIKeyXMWHMWNWXHYUEB-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242760
3-(1-cyclopropylpropan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83257317
3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one
CID 83254098
3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83258633
5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one
CID 83246616
3-(2-methoxy-2-methylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104767754
3-[2-(dimethylamino)-2-methylpropyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83253023
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83258955
3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104830803
5-(2-methylpropyl)-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
CID 103968852
3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83270786

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one (CID 104830706) is 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NCN(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is XMWHMWNWXHYUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)7-11-12(16)15(8-14-11)10(3)13(4,5)6/h9-11,14H,7-8H2,1-6H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.22, 3 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-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 104830706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).