2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine

C13H21NO — CID 146397041

IUPAC2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine
SMILESCCOC(C)(c1ccccn1)C(C)(C)C
InChIInChI=1S/C13H21NO/c1-6-15-13(5,12(2,3)4)11-9-7-8-10-14-11/h7-10H,6H2,1-5H3
InChIKeySCQBSHUAYHUPEB-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.38
Rot. Bonds3

About 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine

2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine (PubChem CID 146397041) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine
PubChem CID146397041
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine
SMILESCCOC(C)(c1ccccn1)C(C)(C)C
InChIInChI=1S/C13H21NO/c1-6-15-13(5,12(2,3)4)11-9-7-8-10-14-11/h7-10H,6H2,1-5H3
InChIKeySCQBSHUAYHUPEB-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxybutan-2-yl)pyridine
CID 146396878
2-(2-ethoxy-4-methylpentan-2-yl)pyridine
CID 146397028
2-(3-methoxy-2,2-dimethylpentan-3-yl)pyridine
CID 146396875
2-(1,1-difluoropropyl)pyridine
CID 59088790
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
2-tert-butylpyridine;ethane;methane
CID 143332153
trimethyl(2-pyridin-2-ylpropan-2-yloxy)silane
CID 157386063
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine
CID 146396869
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine?
The IUPAC name of 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine (CID 146397041) is 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine.
What is the SMILES notation for 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine?
The canonical SMILES for 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine is CCOC(C)(c1ccccn1)C(C)(C)C.
What is the InChIKey of 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine?
The InChIKey is SCQBSHUAYHUPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-15-13(5,12(2,3)4)11-9-7-8-10-14-11/h7-10H,6H2,1-5H3.
What are the key properties of 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine?
2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine has a molecular weight of 207.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine is sourced from PubChem (CID 146397041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).