2-(2-methoxy-3,3-dimethylbutyl)pyridine

C12H19NO — CID 86130938

IUPAC2-(2-methoxy-3,3-dimethylbutyl)pyridine
SMILESCOC(Cc1ccccn1)C(C)(C)C
InChIInChI=1S/C12H19NO/c1-12(2,3)11(14-4)9-10-7-5-6-8-13-10/h5-8,11H,9H2,1-4H3
InChIKeyHJCLMWWCIHPSPC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.69
Rot. Bonds3

About 2-(2-methoxy-3,3-dimethylbutyl)pyridine

2-(2-methoxy-3,3-dimethylbutyl)pyridine (PubChem CID 86130938) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-methoxy-3,3-dimethylbutyl)pyridine.

Molecular Properties

Compound Name2-(2-methoxy-3,3-dimethylbutyl)pyridine
PubChem CID86130938
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-methoxy-3,3-dimethylbutyl)pyridine
SMILESCOC(Cc1ccccn1)C(C)(C)C
InChIInChI=1S/C12H19NO/c1-12(2,3)11(14-4)9-10-7-5-6-8-13-10/h5-8,11H,9H2,1-4H3
InChIKeyHJCLMWWCIHPSPC-UHFFFAOYSA-N
XLogP2.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
CID 79492661
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
3-methoxy-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 116715417
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
2-(2-chloro-4-methoxybutyl)pyridine
CID 66461980
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
1-methoxy-N-methyl-1-phenyl-3-pyridin-2-ylpropan-2-amine
CID 116772512

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,3-dimethylbutyl)pyridine?
The IUPAC name of 2-(2-methoxy-3,3-dimethylbutyl)pyridine (CID 86130938) is 2-(2-methoxy-3,3-dimethylbutyl)pyridine.
What is the SMILES notation for 2-(2-methoxy-3,3-dimethylbutyl)pyridine?
The canonical SMILES for 2-(2-methoxy-3,3-dimethylbutyl)pyridine is COC(Cc1ccccn1)C(C)(C)C.
What is the InChIKey of 2-(2-methoxy-3,3-dimethylbutyl)pyridine?
The InChIKey is HJCLMWWCIHPSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)11(14-4)9-10-7-5-6-8-13-10/h5-8,11H,9H2,1-4H3.
What are the key properties of 2-(2-methoxy-3,3-dimethylbutyl)pyridine?
2-(2-methoxy-3,3-dimethylbutyl)pyridine has a molecular weight of 193.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,3-dimethylbutyl)pyridine is sourced from PubChem (CID 86130938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).