3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one

C17H31N3O — CID 83236937

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(C2CN3CCC2CC3)C1=O
InChIInChI=1S/C17H31N3O/c1-4-5-6-14-17(21)20(16(18-14)12(2)3)15-11-19-9-7-13(15)8-10-19/h12-16,18H,4-11H2,1-3H3
InChIKeyJWLQDZWZBUSRKT-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.05
Rot. Bonds5

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one

3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83236937) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one
PubChem CID83236937
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(C2CN3CCC2CC3)C1=O
InChIInChI=1S/C17H31N3O/c1-4-5-6-14-17(21)20(16(18-14)12(2)3)15-11-19-9-7-13(15)8-10-19/h12-16,18H,4-11H2,1-3H3
InChIKeyJWLQDZWZBUSRKT-UHFFFAOYSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one with MolForge

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Related Compounds

5-butyl-3-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylimidazolidin-4-one
CID 83266918
5-butyl-3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83244477
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83237876
5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262754
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958000
5-butyl-3-(cyclobutylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244060
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958010
5-ethyl-3-(2-methylcyclopropyl)-2-propan-2-ylimidazolidin-4-one
CID 83254497
5-ethyl-3-(2-methylcyclohexyl)-2-propan-2-ylimidazolidin-4-one
CID 83238642
5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83244959
3-(2,3-dimethylcyclopentyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 83258750

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one (CID 83236937) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one is CCCCC1NC(C(C)C)N(C2CN3CCC2CC3)C1=O.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is JWLQDZWZBUSRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-5-6-14-17(21)20(16(18-14)12(2)3)15-11-19-9-7-13(15)8-10-19/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one?
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 293.46 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 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83236937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).