3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol

C13H21NO — CID 104823063

IUPAC3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(C)nc1
InChIInChI=1S/C13H21NO/c1-4-5-10(2)8-13(15)12-7-6-11(3)14-9-12/h6-7,9-10,13,15H,4-5,8H2,1-3H3
InChIKeySNYNKVNHWGPMAT-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.25
Rot. Bonds5

About 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol

3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol (PubChem CID 104823063) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
PubChem CID104823063
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(C)nc1
InChIInChI=1S/C13H21NO/c1-4-5-10(2)8-13(15)12-7-6-11(3)14-9-12/h6-7,9-10,13,15H,4-5,8H2,1-3H3
InChIKeySNYNKVNHWGPMAT-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
CID 105096914
5-fluoro-2-methylpyridine;4-methylheptane
CID 144860351
1-(4-cyclopropylphenyl)-3-methylhexan-1-ol
CID 79980578
6-methyl-N-[(2R)-2-methylpentyl]pyridin-3-amine
CID 96903071
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
CID 143571463
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
1-(6-bromo-3-pyridinyl)butan-1-ol
CID 87126777
1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
CID 107012151
1-(3-bromo-4-fluorophenyl)-3-methylhexan-1-ol
CID 65147954

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol?
The IUPAC name of 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol (CID 104823063) is 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol.
What is the SMILES notation for 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol?
The canonical SMILES for 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol is CCCC(C)CC(O)c1ccc(C)nc1.
What is the InChIKey of 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol?
The InChIKey is SNYNKVNHWGPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-10(2)8-13(15)12-7-6-11(3)14-9-12/h6-7,9-10,13,15H,4-5,8H2,1-3H3.
What are the key properties of 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol?
3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol is sourced from PubChem (CID 104823063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).