5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one

C15H31N3O — CID 83249576

IUPAC5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(C(CN(C)C)C(C)C)C1=O
InChIInChI=1S/C15H31N3O/c1-8-11(4)14-15(19)18(12(5)16-14)13(10(2)3)9-17(6)7/h10-14,16H,8-9H2,1-7H3
InChIKeyVCLHRHZYYDWYMR-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.77
Rot. Bonds6

About 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one

5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one (PubChem CID 83249576) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one
PubChem CID83249576
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(C(CN(C)C)C(C)C)C1=O
InChIInChI=1S/C15H31N3O/c1-8-11(4)14-15(19)18(12(5)16-14)13(10(2)3)9-17(6)7/h10-14,16H,8-9H2,1-7H3
InChIKeyVCLHRHZYYDWYMR-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83250264
5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one
CID 83252330
5-butan-2-yl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83253008
5-butan-2-yl-3-[1-(dimethylamino)propan-2-yl]-2-ethylimidazolidin-4-one
CID 83260616
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
CID 83239751
3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one
CID 83249783
5-butan-2-yl-3-(1-methoxy-3-methylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83259061
5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
CID 83263151
5-butan-2-yl-3-[2-(dimethylamino)ethyl]-2-propylimidazolidin-4-one
CID 83250833
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
5-butan-2-yl-2-cyclopentyl-3-[2-(dimethylamino)ethyl]imidazolidin-4-one
CID 83250489

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one (CID 83249576) is 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one is CCC(C)C1NC(C)N(C(CN(C)C)C(C)C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one?
The InChIKey is VCLHRHZYYDWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-8-11(4)14-15(19)18(12(5)16-14)13(10(2)3)9-17(6)7/h10-14,16H,8-9H2,1-7H3.
What are the key properties of 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one?
5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one has a molecular weight of 269.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one is sourced from PubChem (CID 83249576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).