3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one

C15H31N3O — CID 83249783

IUPAC3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1C(CN(C)C)C(C)C
InChIInChI=1S/C15H31N3O/c1-7-9-14-16-12(8-2)15(19)18(14)13(11(3)4)10-17(5)6/h11-14,16H,7-10H2,1-6H3
InChIKeyLYZJCUZIOIGNDI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.91
Rot. Bonds7

About 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one

3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one (PubChem CID 83249783) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one
PubChem CID83249783
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1C(CN(C)C)C(C)C
InChIInChI=1S/C15H31N3O/c1-7-9-14-16-12(8-2)15(19)18(14)13(11(3)4)10-17(5)6/h11-14,16H,7-10H2,1-6H3
InChIKeyLYZJCUZIOIGNDI-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one (CID 83249783) is 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one is CCCC1NC(CC)C(=O)N1C(CN(C)C)C(C)C.
What is the InChIKey of 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one?
The InChIKey is LYZJCUZIOIGNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-7-9-14-16-12(8-2)15(19)18(14)13(11(3)4)10-17(5)6/h11-14,16H,7-10H2,1-6H3.
What are the key properties of 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one?
3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one has a molecular weight of 269.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-ethyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83249783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).