3-(diethoxymethyl)-4-methylpyridine

C11H17NO2 — CID 55269894

IUPAC3-(diethoxymethyl)-4-methylpyridine
SMILESCCOC(OCC)c1cnccc1C
InChIInChI=1S/C11H17NO2/c1-4-13-11(14-5-2)10-8-12-7-6-9(10)3/h6-8,11H,4-5H2,1-3H3
InChIKeyLQQVCJKTSYPZNQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.46
Rot. Bonds5

About 3-(diethoxymethyl)-4-methylpyridine

3-(diethoxymethyl)-4-methylpyridine (PubChem CID 55269894) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(diethoxymethyl)-4-methylpyridine.

Molecular Properties

Compound Name3-(diethoxymethyl)-4-methylpyridine
PubChem CID55269894
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(diethoxymethyl)-4-methylpyridine
SMILESCCOC(OCC)c1cnccc1C
InChIInChI=1S/C11H17NO2/c1-4-13-11(14-5-2)10-8-12-7-6-9(10)3/h6-8,11H,4-5H2,1-3H3
InChIKeyLQQVCJKTSYPZNQ-UHFFFAOYSA-N
XLogP2.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
4-(diethoxymethyl)pyridine
CID 15389192
2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 116772054
4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 105110901
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
ethane;4-ethoxy-3-methylpyridine
CID 177233068
2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
CID 103449352
3-bromo-4-(1-ethoxyethyl)pyridine
CID 71104941
3-dodecan-6-yl-4-methylpyridine
CID 129130745
(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 116715414

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethyl)-4-methylpyridine?
The IUPAC name of 3-(diethoxymethyl)-4-methylpyridine (CID 55269894) is 3-(diethoxymethyl)-4-methylpyridine.
What is the SMILES notation for 3-(diethoxymethyl)-4-methylpyridine?
The canonical SMILES for 3-(diethoxymethyl)-4-methylpyridine is CCOC(OCC)c1cnccc1C.
What is the InChIKey of 3-(diethoxymethyl)-4-methylpyridine?
The InChIKey is LQQVCJKTSYPZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-13-11(14-5-2)10-8-12-7-6-9(10)3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 3-(diethoxymethyl)-4-methylpyridine?
3-(diethoxymethyl)-4-methylpyridine has a molecular weight of 195.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethyl)-4-methylpyridine is sourced from PubChem (CID 55269894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).