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

C16H30N2O3 — CID 51371311

IUPAC1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
SMILESCC(N)O.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1
InChIInChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;1-2(3)4/h6,8,11,17H,7,9H2,1-5H3;2,4H,3H2,1H3
InChIKeyJUAUJJPBJGQPET-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.29
Rot. Bonds3

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

1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one (PubChem CID 51371311) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one.

Molecular Properties

Compound Name1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
PubChem CID51371311
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
SMILESCC(N)O.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1
InChIInChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;1-2(3)4/h6,8,11,17H,7,9H2,1-5H3;2,4H,3H2,1H3
InChIKeyJUAUJJPBJGQPET-UHFFFAOYSA-N
XLogP2.29
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The IUPAC name of 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one (CID 51371311) is 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one.
What is the SMILES notation for 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The canonical SMILES for 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one is CC(N)O.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.
What is the InChIKey of 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
The InChIKey is JUAUJJPBJGQPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;1-2(3)4/h6,8,11,17H,7,9H2,1-5H3;2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one?
1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one is sourced from PubChem (CID 51371311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).