6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol

C24H44N2O — CID 71622513

IUPAC6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol
SMILESCCCCCCCCCCCCCCCCNc1nc(C)c(O)c(C)c1C
InChIInChI=1S/C24H44N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-24-21(3)20(2)23(27)22(4)26-24/h27H,5-19H2,1-4H3,(H,25,26)
InChIKeyLHIZULQCOVSZDC-UHFFFAOYSA-N
MW376.63 g/mol
LogP7.61
Rot. Bonds16

About 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol

6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol (PubChem CID 71622513) has the molecular formula C24H44N2O and a molecular weight of 376.63 g/mol. Its IUPAC name is 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol.

Molecular Properties

Compound Name6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol
PubChem CID71622513
Molecular FormulaC24H44N2O
Molecular Weight376.63 g/mol
Exact Mass376.35
IUPAC Name6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol
SMILESCCCCCCCCCCCCCCCCNc1nc(C)c(O)c(C)c1C
InChIInChI=1S/C24H44N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-24-21(3)20(2)23(27)22(4)26-24/h27H,5-19H2,1-4H3,(H,25,26)
InChIKeyLHIZULQCOVSZDC-UHFFFAOYSA-N
XLogP7.61
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol?
The IUPAC name of 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol (CID 71622513) is 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol.
What is the SMILES notation for 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol?
The canonical SMILES for 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol is CCCCCCCCCCCCCCCCNc1nc(C)c(O)c(C)c1C.
What is the InChIKey of 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol?
The InChIKey is LHIZULQCOVSZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-24-21(3)20(2)23(27)22(4)26-24/h27H,5-19H2,1-4H3,(H,25,26).
What are the key properties of 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol?
6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol has a molecular weight of 376.63 g/mol, XLogP of 7.61, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexadecylamino)-2,4,5-trimethylpyridin-3-ol is sourced from PubChem (CID 71622513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).