3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

C8H15NO — CID 14442216

IUPAC3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOCC1C=CCN(C)C1
InChIInChI=1S/C8H15NO/c1-9-5-3-4-8(6-9)7-10-2/h3-4,8H,5-7H2,1-2H3
InChIKeyQUUQMLIEMVAUEJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.75
Rot. Bonds2

About 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 14442216) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID14442216
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOCC1C=CCN(C)C1
InChIInChI=1S/C8H15NO/c1-9-5-3-4-8(6-9)7-10-2/h3-4,8H,5-7H2,1-2H3
InChIKeyQUUQMLIEMVAUEJ-UHFFFAOYSA-N
XLogP0.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 14442216) is 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is COCC1C=CCN(C)C1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is QUUQMLIEMVAUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-3-4-8(6-9)7-10-2/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 141.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14442216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).