6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol

C16H28N2O3 — CID 162221947

IUPAC6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol
SMILESCCNCCO.Cc1cc(C2CCCCC2)n(O)c(=O)c1
InChIInChI=1S/C12H17NO2.C4H11NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;1-2-5-3-4-6/h7-8,10,15H,2-6H2,1H3;5-6H,2-4H2,1H3
InChIKeyZUFZDJOVMCWJIP-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.03
Rot. Bonds4

About 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol

6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol (PubChem CID 162221947) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol
PubChem CID162221947
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol
SMILESCCNCCO.Cc1cc(C2CCCCC2)n(O)c(=O)c1
InChIInChI=1S/C12H17NO2.C4H11NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;1-2-5-3-4-6/h7-8,10,15H,2-6H2,1H3;5-6H,2-4H2,1H3
InChIKeyZUFZDJOVMCWJIP-UHFFFAOYSA-N
XLogP2.03
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.03
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
6-Cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one
CID 139553638
6-Cyclohexyl-1-hydroxy-4-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 139553642
6-Cyclohexyl-3-[(heptylamino)methyl]-1-hydroxy-4-methylpyridin-2-one
CID 139553643
6-Cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one
CID 139553704
6-Cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one
CID 139553819
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

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol?
The IUPAC name of 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol (CID 162221947) is 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol.
What is the SMILES notation for 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol?
The canonical SMILES for 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol is CCNCCO.Cc1cc(C2CCCCC2)n(O)c(=O)c1.
What is the InChIKey of 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol?
The InChIKey is ZUFZDJOVMCWJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C4H11NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;1-2-5-3-4-6/h7-8,10,15H,2-6H2,1H3;5-6H,2-4H2,1H3.
What are the key properties of 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol?
6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol has a molecular weight of 296.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol is sourced from PubChem (CID 162221947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).