1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol

C13H21NO — CID 105086146

IUPAC1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(C)nc1C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-13(15)12-9-8-10(2)14-11(12)3/h8-9,13,15H,4-7H2,1-3H3
InChIKeyAUFMARSAMYYHBV-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.31
Rot. Bonds5

About 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol

1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol (PubChem CID 105086146) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
PubChem CID105086146
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(C)nc1C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-13(15)12-9-8-10(2)14-11(12)3/h8-9,13,15H,4-7H2,1-3H3
InChIKeyAUFMARSAMYYHBV-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
1-(2,6-dimethyl-3-pyridinyl)pentan-1-ol
CID 105085207
1-(2,6-dimethyl-3-pyridinyl)heptylhydrazine
CID 105293944
1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
CID 105124721
1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
CID 105124811
1-(2-methylquinolin-8-yl)hexan-1-ol
CID 102243588
1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol
CID 105126569
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
CID 105111964
1-(2,6-dimethyl-3-pyridinyl)-N-methylpentan-1-amine
CID 105125315
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
CID 105114692
1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
CID 105080249

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol (CID 105086146) is 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol is CCCCCC(O)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol?
The InChIKey is AUFMARSAMYYHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-6-7-13(15)12-9-8-10(2)14-11(12)3/h8-9,13,15H,4-7H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol?
1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol is sourced from PubChem (CID 105086146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).