2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one

C20H38N2O5 — CID 14884272

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
SMILESCc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.OCCN(CCO)CCO
InChIInChI=1S/C14H23NO2.C6H15NO3/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;8-4-1-7(2-5-9)3-6-10/h6,8,11,17H,7,9H2,1-5H3;8-10H,1-6H2
InChIKeyVOMQYGIXWGQUET-UHFFFAOYSA-N
MW386.53 g/mol
LogP1.27
Rot. Bonds9

About 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one

2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one (PubChem CID 14884272) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
PubChem CID14884272
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
SMILESCc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.OCCN(CCO)CCO
InChIInChI=1S/C14H23NO2.C6H15NO3/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;8-4-1-7(2-5-9)3-6-10/h6,8,11,17H,7,9H2,1-5H3;8-10H,1-6H2
InChIKeyVOMQYGIXWGQUET-UHFFFAOYSA-N
XLogP1.27
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one (CID 14884272) is 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one is Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The InChIKey is VOMQYGIXWGQUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.C6H15NO3/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;8-4-1-7(2-5-9)3-6-10/h6,8,11,17H,7,9H2,1-5H3;8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one has a molecular weight of 386.53 g/mol, XLogP of 1.27, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one is sourced from PubChem (CID 14884272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).