2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine

C13H28N2O — CID 91330155

IUPAC2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine
SMILESCCC1(CC)C(C)N(C)C(CC)(CC)N1O
InChIInChI=1S/C13H28N2O/c1-7-12(8-2)11(5)14(6)13(9-3,10-4)15(12)16/h11,16H,7-10H2,1-6H3
InChIKeyMHCLRQFXCLKYAH-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.09
Rot. Bonds4

About 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine

2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine (PubChem CID 91330155) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine.

Molecular Properties

Compound Name2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine
PubChem CID91330155
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine
SMILESCCC1(CC)C(C)N(C)C(CC)(CC)N1O
InChIInChI=1S/C13H28N2O/c1-7-12(8-2)11(5)14(6)13(9-3,10-4)15(12)16/h11,16H,7-10H2,1-6H3
InChIKeyMHCLRQFXCLKYAH-UHFFFAOYSA-N
XLogP3.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine?
The IUPAC name of 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine (CID 91330155) is 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine.
What is the SMILES notation for 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine?
The canonical SMILES for 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine is CCC1(CC)C(C)N(C)C(CC)(CC)N1O.
What is the InChIKey of 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine?
The InChIKey is MHCLRQFXCLKYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-12(8-2)11(5)14(6)13(9-3,10-4)15(12)16/h11,16H,7-10H2,1-6H3.
What are the key properties of 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine?
2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine has a molecular weight of 228.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetraethyl-3-hydroxy-1,5-dimethylimidazolidine is sourced from PubChem (CID 91330155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).