2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine

C13H21NO — CID 134332018

IUPAC2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(OCC(C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)11-6-7-14-12(8-11)15-9-13(3,4)5/h6-8,10H,9H2,1-5H3
InChIKeyUYXUYRHJIDZKBD-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.63
Rot. Bonds3

About 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine

2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine (PubChem CID 134332018) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
PubChem CID134332018
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(OCC(C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)11-6-7-14-12(8-11)15-9-13(3,4)5/h6-8,10H,9H2,1-5H3
InChIKeyUYXUYRHJIDZKBD-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
CID 176699176
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516
(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 126654827
(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 139545772
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
2-methoxy-4-pentan-2-ylpyridine
CID 155069578
2-(3-methylbutyl)-4-propan-2-ylpyridine
CID 59202153
N-ethyl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 155215060
CID 166491542
CID 166491542
4-(2,2-dimethylpropoxy)-2-methylpyridine
CID 135279378
1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine
CID 177189575

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine?
The IUPAC name of 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine (CID 134332018) is 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine is CC(C)c1ccnc(OCC(C)(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine?
The InChIKey is UYXUYRHJIDZKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)11-6-7-14-12(8-11)15-9-13(3,4)5/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine?
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine has a molecular weight of 207.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine is sourced from PubChem (CID 134332018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).