2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate

C14H26N2O4 — CID 172643597

IUPAC2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO.O
InChIInChI=1S/C12H17NO2.C2H7NO.H2O/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4;/h7-8,10,15H,2-6H2,1H3;4H,1-3H2;1H2
InChIKeyPRMIYMYZKZXMFS-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.55
Rot. Bonds2

About 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate

2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate (PubChem CID 172643597) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate.

Molecular Properties

Compound Name2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate
PubChem CID172643597
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO.O
InChIInChI=1S/C12H17NO2.C2H7NO.H2O/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4;/h7-8,10,15H,2-6H2,1H3;4H,1-3H2;1H2
InChIKeyPRMIYMYZKZXMFS-UHFFFAOYSA-N
XLogP0.55
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one
CID 155525341
6-Cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one
CID 139553638
6-Cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one
CID 139553704
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
2-hydroxyethanaminium 6-cyclohexyl-4-methyl-2-oxopyridin-1(2H)-olate
CID 45480172
2-Aminoethanol;bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one)
CID 17921340

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate?
The IUPAC name of 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate (CID 172643597) is 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate.
What is the SMILES notation for 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate?
The canonical SMILES for 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate is Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO.O.
What is the InChIKey of 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate?
The InChIKey is PRMIYMYZKZXMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C2H7NO.H2O/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4;/h7-8,10,15H,2-6H2,1H3;4H,1-3H2;1H2.
What are the key properties of 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate?
2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate has a molecular weight of 286.37 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one;hydrate is sourced from PubChem (CID 172643597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).