2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol

C13H19NO — CID 105100889

IUPAC2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)CC2CCC2)c(C)n1
InChIInChI=1S/C13H19NO/c1-9-6-7-12(10(2)14-9)13(15)8-11-4-3-5-11/h6-7,11,13,15H,3-5,8H2,1-2H3
InChIKeyATMZCDPUPZEHNA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.92
Rot. Bonds3

About 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol

2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol (PubChem CID 105100889) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol
PubChem CID105100889
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)CC2CCC2)c(C)n1
InChIInChI=1S/C13H19NO/c1-9-6-7-12(10(2)14-9)13(15)8-11-4-3-5-11/h6-7,11,13,15H,3-5,8H2,1-2H3
InChIKeyATMZCDPUPZEHNA-UHFFFAOYSA-N
XLogP2.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 105138910
2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol
CID 131000904
[cyclobutyl-(2,6-dimethyl-3-pyridinyl)methyl]hydrazine
CID 105340078
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
1-(2,6-dimethyl-3-pyridinyl)pentan-1-ol
CID 105085207
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
CID 105086146
(R)-cyclopropyl-(2,6-dimethyl-3-pyridinyl)methanamine
CID 55262974
2-cyclohexyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502817
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol
CID 115529993

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol (CID 105100889) is 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol is Cc1ccc(C(O)CC2CCC2)c(C)n1.
What is the InChIKey of 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol?
The InChIKey is ATMZCDPUPZEHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-7-12(10(2)14-9)13(15)8-11-4-3-5-11/h6-7,11,13,15H,3-5,8H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol?
2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol has a molecular weight of 205.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105100889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).