2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one

C18H34N2O4 — CID 19863212

IUPAC2-(2-hydroxyethylamino)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.OCCNCCO
InChIInChI=1S/C14H23NO2.C4H11NO2/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;6-3-1-5-2-4-7/h6,8,11,17H,7,9H2,1-5H3;5-7H,1-4H2
InChIKeyUMJGKWWLODKJSV-UHFFFAOYSA-N
MW342.48 g/mol
LogP1.57
Rot. Bonds7

About 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one

2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one (PubChem CID 19863212) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
PubChem CID19863212
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Name2-(2-hydroxyethylamino)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.OCCNCCO
InChIInChI=1S/C14H23NO2.C4H11NO2/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;6-3-1-5-2-4-7/h6,8,11,17H,7,9H2,1-5H3;5-7H,1-4H2
InChIKeyUMJGKWWLODKJSV-UHFFFAOYSA-N
XLogP1.57
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ciclopirox Olamine
CID 38911
Piroctone Olamine
CID 50258
1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one--3-aminopropan-1-ol (1/1)
CID 60196297
Pharmakon1600-01503875
CID 51371311
2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate
CID 44181993
6-Cyclohexyl-1-hydroxy-4-methylpyridin-2-one;6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium
CID 139036825
Ciclopirox olamine monohydrate
CID 172643597
2-hydroxyethanaminium 6-cyclohexyl-4-methyl-2-oxopyridin-1(2H)-olate
CID 45480172
2-[Bis(2-hydroxyethyl)amino]ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
CID 14884272
2-Aminoethanol;bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one)
CID 17921340
2-Aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one;sulfane
CID 66691712
Bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one)
CID 67022782

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one (CID 19863212) is 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The canonical SMILES for 2-(2-hydroxyethylamino)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.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The InChIKey is UMJGKWWLODKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.C4H11NO2/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;6-3-1-5-2-4-7/h6,8,11,17H,7,9H2,1-5H3;5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one has a molecular weight of 342.48 g/mol, XLogP of 1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one is sourced from PubChem (CID 19863212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).