1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine

C9H17NO — CID 14442214

IUPAC1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCCN1CC=C(COC)CC1
InChIInChI=1S/C9H17NO/c1-3-10-6-4-9(5-7-10)8-11-2/h4H,3,5-8H2,1-2H3
InChIKeyBFWPFGCNWSKHRU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds3

About 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine

1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine (PubChem CID 14442214) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
PubChem CID14442214
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCCN1CC=C(COC)CC1
InChIInChI=1S/C9H17NO/c1-3-10-6-4-9(5-7-10)8-11-2/h4H,3,5-8H2,1-2H3
InChIKeyBFWPFGCNWSKHRU-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 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine (CID 14442214) is 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine is CCN1CC=C(COC)CC1.
What is the InChIKey of 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BFWPFGCNWSKHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10-6-4-9(5-7-10)8-11-2/h4H,3,5-8H2,1-2H3.
What are the key properties of 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
1-ethyl-4-(methoxymethyl)-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 1-ethyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14442214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).