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

C17H33N — CID 54672244

IUPAC6-dodecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18-17/h2-16H2,1H3
InChIKeyUKUAXLMKPNZHMC-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.92
Rot. Bonds11

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

6-dodecyl-2,3,4,5-tetrahydropyridine (PubChem CID 54672244) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 6-dodecyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-dodecyl-2,3,4,5-tetrahydropyridine
PubChem CID54672244
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name6-dodecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18-17/h2-16H2,1H3
InChIKeyUKUAXLMKPNZHMC-UHFFFAOYSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-dodecyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-dodecyl-2,3,4,5-tetrahydropyridine (CID 54672244) is 6-dodecyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-dodecyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-dodecyl-2,3,4,5-tetrahydropyridine is CCCCCCCCCCCCC1=NCCCC1.
What is the InChIKey of 6-dodecyl-2,3,4,5-tetrahydropyridine?
The InChIKey is UKUAXLMKPNZHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18-17/h2-16H2,1H3.
What are the key properties of 6-dodecyl-2,3,4,5-tetrahydropyridine?
6-dodecyl-2,3,4,5-tetrahydropyridine has a molecular weight of 251.46 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54672244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).