5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one

C13H26N2O — CID 102916025

IUPAC5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one
SMILESCCC1NCN(CC(C(C)C)C(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-6-12-13(16)15(8-14-12)7-11(9(2)3)10(4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyBUEHIAOCPTZRMG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.08
Rot. Bonds5

About 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one

5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one (PubChem CID 102916025) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one
PubChem CID102916025
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one
SMILESCCC1NCN(CC(C(C)C)C(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-6-12-13(16)15(8-14-12)7-11(9(2)3)10(4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyBUEHIAOCPTZRMG-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249714
3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one
CID 83237576
3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83250904
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
3-[2-(dimethylamino)ethyl]-5-ethylimidazolidin-4-one
CID 83251000
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599
5-ethyl-3-(2-methoxyethyl)imidazolidin-4-one
CID 83242628
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83257472
5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916125
(3R)-1,3-diethylpiperazin-2-one
CID 96645682
3-[4-(dimethylamino)butan-2-yl]-5-ethylimidazolidin-4-one
CID 83248683

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one (CID 102916025) is 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one is CCC1NCN(CC(C(C)C)C(C)C)C1=O.
What is the InChIKey of 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one?
The InChIKey is BUEHIAOCPTZRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-12-13(16)15(8-14-12)7-11(9(2)3)10(4)5/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one?
5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one is sourced from PubChem (CID 102916025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).