1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol

C13H21NO — CID 107502818

IUPAC1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol
SMILESCc1cc(C(O)CCC(C)C)cc(C)n1
InChIInChI=1S/C13H21NO/c1-9(2)5-6-13(15)12-7-10(3)14-11(4)8-12/h7-9,13,15H,5-6H2,1-4H3
InChIKeyJGPSLODVIJXYRW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.17
Rot. Bonds4

About 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol

1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol (PubChem CID 107502818) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol
PubChem CID107502818
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol
SMILESCc1cc(C(O)CCC(C)C)cc(C)n1
InChIInChI=1S/C13H21NO/c1-9(2)5-6-13(15)12-7-10(3)14-11(4)8-12/h7-9,13,15H,5-6H2,1-4H3
InChIKeyJGPSLODVIJXYRW-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848
1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
CID 107502681
(2,6-dimethyl-4-pyridinyl)methanediol
CID 146515076
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol
CID 171872037
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
2-cyclohexyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502817
2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502712
cyclopropyl-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502834
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 82417415
1-(2,6-dimethyl-4-pyridinyl)-2-methylbutan-1-amine
CID 107503239

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol (CID 107502818) is 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol is Cc1cc(C(O)CCC(C)C)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol?
The InChIKey is JGPSLODVIJXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)5-6-13(15)12-7-10(3)14-11(4)8-12/h7-9,13,15H,5-6H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol?
1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol is sourced from PubChem (CID 107502818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).