2-butan-2-yl-3-(2-methoxyethoxy)pyridine

C12H19NO2 — CID 176934117

IUPAC2-butan-2-yl-3-(2-methoxyethoxy)pyridine
SMILESCCC(C)c1ncccc1OCCOC
InChIInChI=1S/C12H19NO2/c1-4-10(2)12-11(6-5-7-13-12)15-9-8-14-3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyZYVUOXOMNJKILA-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.62
Rot. Bonds6

About 2-butan-2-yl-3-(2-methoxyethoxy)pyridine

2-butan-2-yl-3-(2-methoxyethoxy)pyridine (PubChem CID 176934117) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-butan-2-yl-3-(2-methoxyethoxy)pyridine.

Molecular Properties

Compound Name2-butan-2-yl-3-(2-methoxyethoxy)pyridine
PubChem CID176934117
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-butan-2-yl-3-(2-methoxyethoxy)pyridine
SMILESCCC(C)c1ncccc1OCCOC
InChIInChI=1S/C12H19NO2/c1-4-10(2)12-11(6-5-7-13-12)15-9-8-14-3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyZYVUOXOMNJKILA-UHFFFAOYSA-N
XLogP2.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethoxy)phenyl]-(3-methyl-2-pyridinyl)methanol
CID 104659512
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 103444018
4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid
CID 104571782
[(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 105257971
2-butan-2-yl-3-(4-methylphenyl)pyridine
CID 144506190
3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine
CID 104662528
3-butan-2-yl-2-methoxypyridine
CID 130368185
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-(2-methoxyethoxy)pyridine?
The IUPAC name of 2-butan-2-yl-3-(2-methoxyethoxy)pyridine (CID 176934117) is 2-butan-2-yl-3-(2-methoxyethoxy)pyridine.
What is the SMILES notation for 2-butan-2-yl-3-(2-methoxyethoxy)pyridine?
The canonical SMILES for 2-butan-2-yl-3-(2-methoxyethoxy)pyridine is CCC(C)c1ncccc1OCCOC.
What is the InChIKey of 2-butan-2-yl-3-(2-methoxyethoxy)pyridine?
The InChIKey is ZYVUOXOMNJKILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-10(2)12-11(6-5-7-13-12)15-9-8-14-3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 2-butan-2-yl-3-(2-methoxyethoxy)pyridine?
2-butan-2-yl-3-(2-methoxyethoxy)pyridine has a molecular weight of 209.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-(2-methoxyethoxy)pyridine is sourced from PubChem (CID 176934117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).