3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane

C13H23NO — CID 143321750

IUPAC3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane
SMILESCC.Cc1ncccc1OCC(C)(C)C
InChIInChI=1S/C11H17NO.C2H6/c1-9-10(6-5-7-12-9)13-8-11(2,3)4;1-2/h5-7H,8H2,1-4H3;1-2H3
InChIKeyKNSSJNCTWGOCMR-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.84
Rot. Bonds2

About 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane

3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane (PubChem CID 143321750) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane
PubChem CID143321750
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane
SMILESCC.Cc1ncccc1OCC(C)(C)C
InChIInChI=1S/C11H17NO.C2H6/c1-9-10(6-5-7-12-9)13-8-11(2,3)4;1-2/h5-7H,8H2,1-4H3;1-2H3
InChIKeyKNSSJNCTWGOCMR-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(2-methyl-3-pyridinyl)oxy]butan-2-ol
CID 114496106
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
3-(6-bromohexoxy)-2-methylpyridine
CID 145360692
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564
3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one
CID 143714736
N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine
CID 103074948
(1S,5R)-N-[2-methyl-1-[(2-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294249
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
3-[4-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1,2-oxazole
CID 90202469
(2-methyl-3-pyridinyl) methanesulfonate
CID 119084020

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane?
The IUPAC name of 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane (CID 143321750) is 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane is CC.Cc1ncccc1OCC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane?
The InChIKey is KNSSJNCTWGOCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-9-10(6-5-7-12-9)13-8-11(2,3)4;1-2/h5-7H,8H2,1-4H3;1-2H3.
What are the key properties of 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane?
3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane has a molecular weight of 209.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane is sourced from PubChem (CID 143321750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).