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

C14H24N2O — CID 71622386

IUPAC6-(hexylamino)-2,4,5-trimethylpyridin-3-ol
SMILESCCCCCCNc1nc(C)c(O)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-9-15-14-11(3)10(2)13(17)12(4)16-14/h17H,5-9H2,1-4H3,(H,15,16)
InChIKeyIAGAPJLNENGNGK-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.70
Rot. Bonds6

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

6-(hexylamino)-2,4,5-trimethylpyridin-3-ol (PubChem CID 71622386) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-(hexylamino)-2,4,5-trimethylpyridin-3-ol.

Molecular Properties

Compound Name6-(hexylamino)-2,4,5-trimethylpyridin-3-ol
PubChem CID71622386
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name6-(hexylamino)-2,4,5-trimethylpyridin-3-ol
SMILESCCCCCCNc1nc(C)c(O)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-9-15-14-11(3)10(2)13(17)12(4)16-14/h17H,5-9H2,1-4H3,(H,15,16)
InChIKeyIAGAPJLNENGNGK-UHFFFAOYSA-N
XLogP3.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.70
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-(hexylamino)-2,4,5-trimethylpyridin-3-ol?
The IUPAC name of 6-(hexylamino)-2,4,5-trimethylpyridin-3-ol (CID 71622386) is 6-(hexylamino)-2,4,5-trimethylpyridin-3-ol.
What is the SMILES notation for 6-(hexylamino)-2,4,5-trimethylpyridin-3-ol?
The canonical SMILES for 6-(hexylamino)-2,4,5-trimethylpyridin-3-ol is CCCCCCNc1nc(C)c(O)c(C)c1C.
What is the InChIKey of 6-(hexylamino)-2,4,5-trimethylpyridin-3-ol?
The InChIKey is IAGAPJLNENGNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-7-8-9-15-14-11(3)10(2)13(17)12(4)16-14/h17H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 6-(hexylamino)-2,4,5-trimethylpyridin-3-ol?
6-(hexylamino)-2,4,5-trimethylpyridin-3-ol has a molecular weight of 236.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexylamino)-2,4,5-trimethylpyridin-3-ol is sourced from PubChem (CID 71622386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).