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

C14H28N2O — CID 104830803

IUPAC3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-9(2)8-12-13(17)16(11(4)15-12)10(3)14(5,6)7/h9-12,15H,8H2,1-7H3
InChIKeyGBHIXSOMFIMNEH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.61
Rot. Bonds3

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

3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 104830803) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID104830803
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-9(2)8-12-13(17)16(11(4)15-12)10(3)14(5,6)7/h9-12,15H,8H2,1-7H3
InChIKeyGBHIXSOMFIMNEH-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
CID 104830799
3-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83260910
3-(1-ethoxypropan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83246403
2-methyl-5-(2-methylpropyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243387
3-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83248649
3-(2-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104767800
2-methyl-3-(4-methylpentyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83254538
3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104830706
2-methyl-3-(2-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252090
2-methyl-5-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257702
3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83251594
2-methyl-3-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 106053028

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one (CID 104830803) is 3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(C)N(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is GBHIXSOMFIMNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)8-12-13(17)16(11(4)15-12)10(3)14(5,6)7/h9-12,15H,8H2,1-7H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.61, 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)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 104830803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).