5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one

C16H32N2O — CID 104830708

IUPAC5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H32N2O/c1-7-9-11-13-15(19)18(12(3)16(4,5)6)14(17-13)10-8-2/h12-14,17H,7-11H2,1-6H3
InChIKeySQGDPGMNSSCFOP-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.54
Rot. Bonds6

About 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one

5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one (PubChem CID 104830708) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one
PubChem CID104830708
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H32N2O/c1-7-9-11-13-15(19)18(12(3)16(4,5)6)14(17-13)10-8-2/h12-14,17H,7-11H2,1-6H3
InChIKeySQGDPGMNSSCFOP-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-3-(2-methylpentan-3-yl)-2-propylimidazolidin-4-one
CID 83245310
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 104830760
3-pentan-2-yl-2,5-dipropylimidazolidin-4-one
CID 83238815
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83243202
3-(1-cyclopropylethyl)-2,5-dipropylimidazolidin-4-one
CID 83243771
5-butyl-2-propyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83269331
5-butyl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767723
2-ethyl-5-propyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260860
3-(1-methoxypropan-2-yl)-2,5-dipropylimidazolidin-4-one
CID 83238801
3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83247146
3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
CID 104830799
5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one (CID 104830708) is 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one is CCCCC1NC(CCC)N(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one?
The InChIKey is SQGDPGMNSSCFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-9-11-13-15(19)18(12(3)16(4,5)6)14(17-13)10-8-2/h12-14,17H,7-11H2,1-6H3.
What are the key properties of 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one?
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 104830708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).