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

C9H17NO — CID 14442213

IUPAC4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCOCC1=CCN(C)CC1
InChIInChI=1S/C9H17NO/c1-3-11-8-9-4-6-10(2)7-5-9/h4H,3,5-8H2,1-2H3
InChIKeyXJJUEAXLVAXYGD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds3

About 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 14442213) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID14442213
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCOCC1=CCN(C)CC1
InChIInChI=1S/C9H17NO/c1-3-11-8-9-4-6-10(2)7-5-9/h4H,3,5-8H2,1-2H3
InChIKeyXJJUEAXLVAXYGD-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
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 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 14442213) is 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is CCOCC1=CCN(C)CC1.
What is the InChIKey of 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is XJJUEAXLVAXYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-8-9-4-6-10(2)7-5-9/h4H,3,5-8H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14442213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).