5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine

C13H23NO — CID 130219501

IUPAC5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1=CCCN(CC2CCOCC2)C1
InChIInChI=1S/C13H23NO/c1-2-12-4-3-7-14(10-12)11-13-5-8-15-9-6-13/h4,13H,2-3,5-11H2,1H3
InChIKeyUISDGTTZDAAEJV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.46
Rot. Bonds3

About 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine

5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 130219501) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID130219501
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1=CCCN(CC2CCOCC2)C1
InChIInChI=1S/C13H23NO/c1-2-12-4-3-7-14(10-12)11-13-5-8-15-9-6-13/h4,13H,2-3,5-11H2,1H3
InChIKeyUISDGTTZDAAEJV-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.46
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 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine (CID 130219501) is 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine is CCC1=CCCN(CC2CCOCC2)C1.
What is the InChIKey of 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is UISDGTTZDAAEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-12-4-3-7-14(10-12)11-13-5-8-15-9-6-13/h4,13H,2-3,5-11H2,1H3.
What are the key properties of 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 209.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130219501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).