6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol

C25H46N2O — CID 118711802

IUPAC6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol
SMILESCCCCCCCCCCCCCCCCc1nc(N(C)C)c(C)c(C)c1O
InChIInChI=1S/C25H46N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(28)21(2)22(3)25(26-23)27(4)5/h28H,6-20H2,1-5H3
InChIKeyTUEURPRFONQBRK-UHFFFAOYSA-N
MW390.66 g/mol
LogP7.49
Rot. Bonds16

About 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol

6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol (PubChem CID 118711802) has the molecular formula C25H46N2O and a molecular weight of 390.66 g/mol. Its IUPAC name is 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol.

Molecular Properties

Compound Name6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol
PubChem CID118711802
Molecular FormulaC25H46N2O
Molecular Weight390.66 g/mol
Exact Mass390.36
IUPAC Name6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol
SMILESCCCCCCCCCCCCCCCCc1nc(N(C)C)c(C)c(C)c1O
InChIInChI=1S/C25H46N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(28)21(2)22(3)25(26-23)27(4)5/h28H,6-20H2,1-5H3
InChIKeyTUEURPRFONQBRK-UHFFFAOYSA-N
XLogP7.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 57.49
H-Bond Donors ≤ 51
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-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol?
The IUPAC name of 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol (CID 118711802) is 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol.
What is the SMILES notation for 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol?
The canonical SMILES for 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol is CCCCCCCCCCCCCCCCc1nc(N(C)C)c(C)c(C)c1O.
What is the InChIKey of 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol?
The InChIKey is TUEURPRFONQBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(28)21(2)22(3)25(26-23)27(4)5/h28H,6-20H2,1-5H3.
What are the key properties of 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol?
6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol has a molecular weight of 390.66 g/mol, XLogP of 7.49, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol is sourced from PubChem (CID 118711802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).