2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one

C16H30N2O — CID 103968836

IUPAC2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H30N2O/c1-11(2)14-17-9-13(19)18(14)12-7-15(3,4)10-16(5,6)8-12/h11-12,14,17H,7-10H2,1-6H3
InChIKeyDXQHUEMRCNNSRE-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.01
Rot. Bonds2

About 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one

2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one (PubChem CID 103968836) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
PubChem CID103968836
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H30N2O/c1-11(2)14-17-9-13(19)18(14)12-7-15(3,4)10-16(5,6)8-12/h11-12,14,17H,7-10H2,1-6H3
InChIKeyDXQHUEMRCNNSRE-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one?
The IUPAC name of 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one (CID 103968836) is 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one.
What is the SMILES notation for 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one?
The canonical SMILES for 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one is CC(C)C1NCC(=O)N1C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one?
The InChIKey is DXQHUEMRCNNSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11(2)14-17-9-13(19)18(14)12-7-15(3,4)10-16(5,6)8-12/h11-12,14,17H,7-10H2,1-6H3.
What are the key properties of 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one?
2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one has a molecular weight of 266.43 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one is sourced from PubChem (CID 103968836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).