2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one

C16H31N3O — CID 83252179

IUPAC2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one
SMILESCCC1NC(C2CCCC2)N(CC(C)(C)N(C)C)C1=O
InChIInChI=1S/C16H31N3O/c1-6-13-15(20)19(11-16(2,3)18(4)5)14(17-13)12-9-7-8-10-12/h12-14,17H,6-11H2,1-5H3
InChIKeyPVEFUJJEOTZLOX-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.05
Rot. Bonds5

About 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one

2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one (PubChem CID 83252179) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one
PubChem CID83252179
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one
SMILESCCC1NC(C2CCCC2)N(CC(C)(C)N(C)C)C1=O
InChIInChI=1S/C16H31N3O/c1-6-13-15(20)19(11-16(2,3)18(4)5)14(17-13)12-9-7-8-10-12/h12-14,17H,6-11H2,1-5H3
InChIKeyPVEFUJJEOTZLOX-UHFFFAOYSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one (CID 83252179) is 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one is CCC1NC(C2CCCC2)N(CC(C)(C)N(C)C)C1=O.
What is the InChIKey of 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one?
The InChIKey is PVEFUJJEOTZLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-13-15(20)19(11-16(2,3)18(4)5)14(17-13)12-9-7-8-10-12/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one?
2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one has a molecular weight of 281.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one is sourced from PubChem (CID 83252179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).