2-(2-ethoxy-4-methylpentan-2-yl)pyridine

C13H21NO — CID 146397028

IUPAC2-(2-ethoxy-4-methylpentan-2-yl)pyridine
SMILESCCOC(C)(CC(C)C)c1ccccn1
InChIInChI=1S/C13H21NO/c1-5-15-13(4,10-11(2)3)12-8-6-7-9-14-12/h6-9,11H,5,10H2,1-4H3
InChIKeyWJTRNROMHOEJGW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-ethoxy-4-methylpentan-2-yl)pyridine

2-(2-ethoxy-4-methylpentan-2-yl)pyridine (PubChem CID 146397028) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-ethoxy-4-methylpentan-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-ethoxy-4-methylpentan-2-yl)pyridine
PubChem CID146397028
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-ethoxy-4-methylpentan-2-yl)pyridine
SMILESCCOC(C)(CC(C)C)c1ccccn1
InChIInChI=1S/C13H21NO/c1-5-15-13(4,10-11(2)3)12-8-6-7-9-14-12/h6-9,11H,5,10H2,1-4H3
InChIKeyWJTRNROMHOEJGW-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-3,3-dimethylbutan-2-yl)pyridine
CID 146397041
2-(3-fluoro-5-methylhexan-3-yl)pyridine
CID 146397049
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 129364593
4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one
CID 90451134
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
2-(3-chloro-2-methylpentan-3-yl)pyridine
CID 146396918
2-(1,1-difluoropropyl)pyridine
CID 59088790
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-methylpentan-2-yl)pyridine?
The IUPAC name of 2-(2-ethoxy-4-methylpentan-2-yl)pyridine (CID 146397028) is 2-(2-ethoxy-4-methylpentan-2-yl)pyridine.
What is the SMILES notation for 2-(2-ethoxy-4-methylpentan-2-yl)pyridine?
The canonical SMILES for 2-(2-ethoxy-4-methylpentan-2-yl)pyridine is CCOC(C)(CC(C)C)c1ccccn1.
What is the InChIKey of 2-(2-ethoxy-4-methylpentan-2-yl)pyridine?
The InChIKey is WJTRNROMHOEJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-15-13(4,10-11(2)3)12-8-6-7-9-14-12/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 2-(2-ethoxy-4-methylpentan-2-yl)pyridine?
2-(2-ethoxy-4-methylpentan-2-yl)pyridine has a molecular weight of 207.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-methylpentan-2-yl)pyridine is sourced from PubChem (CID 146397028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).