1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine

C18H35NO — CID 22091432

IUPAC1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine
SMILESCCCCCCCCCCCOCCN1CC=CCC1
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-13-17-20-18-16-19-14-11-10-12-15-19/h10-11H,2-9,12-18H2,1H3
InChIKeyFDIRUMQQGHPILI-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.80
Rot. Bonds13

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

1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine (PubChem CID 22091432) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine
PubChem CID22091432
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine
SMILESCCCCCCCCCCCOCCN1CC=CCC1
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-13-17-20-18-16-19-14-11-10-12-15-19/h10-11H,2-9,12-18H2,1H3
InChIKeyFDIRUMQQGHPILI-UHFFFAOYSA-N
XLogP4.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine (CID 22091432) is 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine is CCCCCCCCCCCOCCN1CC=CCC1.
What is the InChIKey of 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is FDIRUMQQGHPILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-13-17-20-18-16-19-14-11-10-12-15-19/h10-11H,2-9,12-18H2,1H3.
What are the key properties of 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine?
1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 281.48 g/mol, XLogP of 4.80, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-undecoxyethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 22091432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).