6-tridecyl-2,3,4,5-tetrahydropyridine

C18H35N — CID 54672245

IUPAC6-tridecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19-18/h2-17H2,1H3
InChIKeyFYIBZFUBSLZUNR-UHFFFAOYSA-N
MW265.48 g/mol
LogP6.31
Rot. Bonds12

About 6-tridecyl-2,3,4,5-tetrahydropyridine

6-tridecyl-2,3,4,5-tetrahydropyridine (PubChem CID 54672245) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 6-tridecyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-tridecyl-2,3,4,5-tetrahydropyridine
PubChem CID54672245
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name6-tridecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19-18/h2-17H2,1H3
InChIKeyFYIBZFUBSLZUNR-UHFFFAOYSA-N
XLogP6.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-tridecyl-2,3,4,5-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tridecyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-tridecyl-2,3,4,5-tetrahydropyridine (CID 54672245) is 6-tridecyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-tridecyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-tridecyl-2,3,4,5-tetrahydropyridine is CCCCCCCCCCCCCC1=NCCCC1.
What is the InChIKey of 6-tridecyl-2,3,4,5-tetrahydropyridine?
The InChIKey is FYIBZFUBSLZUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19-18/h2-17H2,1H3.
What are the key properties of 6-tridecyl-2,3,4,5-tetrahydropyridine?
6-tridecyl-2,3,4,5-tetrahydropyridine has a molecular weight of 265.48 g/mol, XLogP of 6.31, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tridecyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54672245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).