1-(5,6-dimethyl-3-pyridinyl)butan-1-ol

C11H17NO — CID 130560260

IUPAC1-(5,6-dimethyl-3-pyridinyl)butan-1-ol
SMILESCCCC(O)c1cnc(C)c(C)c1
InChIInChI=1S/C11H17NO/c1-4-5-11(13)10-6-8(2)9(3)12-7-10/h6-7,11,13H,4-5H2,1-3H3
InChIKeyYSRNBMNHAKAWCP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.53
Rot. Bonds3

About 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol

1-(5,6-dimethyl-3-pyridinyl)butan-1-ol (PubChem CID 130560260) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-3-pyridinyl)butan-1-ol
PubChem CID130560260
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(5,6-dimethyl-3-pyridinyl)butan-1-ol
SMILESCCCC(O)c1cnc(C)c(C)c1
InChIInChI=1S/C11H17NO/c1-4-5-11(13)10-6-8(2)9(3)12-7-10/h6-7,11,13H,4-5H2,1-3H3
InChIKeyYSRNBMNHAKAWCP-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
CID 97293385
1-quinolin-3-ylbutan-1-ol
CID 60924193
5-[1-(5,6-dimethyl-3-pyridinyl)ethyl]-2,3-dimethylpyridine
CID 154716300
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
1-(6-bromo-3-pyridinyl)butan-1-ol
CID 87126777
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol
CID 124503154
(1R)-1-[6-(dipropylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501331
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
5-(1-hydroxybutyl)-2-methylphenol
CID 88978694
(1R)-1-[6-(diethylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501319
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol?
The IUPAC name of 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol (CID 130560260) is 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol is CCCC(O)c1cnc(C)c(C)c1.
What is the InChIKey of 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol?
The InChIKey is YSRNBMNHAKAWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-11(13)10-6-8(2)9(3)12-7-10/h6-7,11,13H,4-5H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol?
1-(5,6-dimethyl-3-pyridinyl)butan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 130560260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).