5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one

C17H32N2O — CID 103968821

IUPAC5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
SMILESCCCCC1NCN(C2CC(C)(C)CC(C)(C)C2)C1=O
InChIInChI=1S/C17H32N2O/c1-6-7-8-14-15(20)19(12-18-14)13-9-16(2,3)11-17(4,5)10-13/h13-14,18H,6-12H2,1-5H3
InChIKeyQCHKDCCYOBFDDP-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.54
Rot. Bonds4

About 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one

5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one (PubChem CID 103968821) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
PubChem CID103968821
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
SMILESCCCCC1NCN(C2CC(C)(C)CC(C)(C)C2)C1=O
InChIInChI=1S/C17H32N2O/c1-6-7-8-14-15(20)19(12-18-14)13-9-16(2,3)11-17(4,5)10-13/h13-14,18H,6-12H2,1-5H3
InChIKeyQCHKDCCYOBFDDP-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one (CID 103968821) is 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one is CCCCC1NCN(C2CC(C)(C)CC(C)(C)C2)C1=O.
What is the InChIKey of 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one?
The InChIKey is QCHKDCCYOBFDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-7-8-14-15(20)19(12-18-14)13-9-16(2,3)11-17(4,5)10-13/h13-14,18H,6-12H2,1-5H3.
What are the key properties of 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one?
5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one has a molecular weight of 280.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one is sourced from PubChem (CID 103968821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).