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

C18H34N2O3 — CID 174693562

IUPAC2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
SMILESCCNCCO.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1
InChIInChI=1S/C14H23NO2.C4H11NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;1-2-5-3-4-6/h6,8,11,17H,7,9H2,1-5H3;5-6H,2-4H2,1H3
InChIKeyVBODGURNDBGOPW-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.60
Rot. Bonds6

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

2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one (PubChem CID 174693562) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one.

Molecular Properties

Compound Name2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
PubChem CID174693562
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
SMILESCCNCCO.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1
InChIInChI=1S/C14H23NO2.C4H11NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;1-2-5-3-4-6/h6,8,11,17H,7,9H2,1-5H3;5-6H,2-4H2,1H3
InChIKeyVBODGURNDBGOPW-UHFFFAOYSA-N
XLogP2.60
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-aminoethanol;6-cyclohexyl-4-methyl-1H-pyridin-2-one
CID 127024483
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-(2-Hydroxyethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
CID 19863212

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The IUPAC name of 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one (CID 174693562) is 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one.
What is the SMILES notation for 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The canonical SMILES for 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one is CCNCCO.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.
What is the InChIKey of 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The InChIKey is VBODGURNDBGOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.C4H11NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;1-2-5-3-4-6/h6,8,11,17H,7,9H2,1-5H3;5-6H,2-4H2,1H3.
What are the key properties of 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one has a molecular weight of 326.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one is sourced from PubChem (CID 174693562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).