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

C22H43N — CID 54669810

IUPAC6-heptadecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C22H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-23-22/h2-21H2,1H3
InChIKeyNWRXBHYKSSIGGL-UHFFFAOYSA-N
MW321.59 g/mol
LogP7.87
Rot. Bonds16

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

6-heptadecyl-2,3,4,5-tetrahydropyridine (PubChem CID 54669810) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is 6-heptadecyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-heptadecyl-2,3,4,5-tetrahydropyridine
PubChem CID54669810
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC Name6-heptadecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C22H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-23-22/h2-21H2,1H3
InChIKeyNWRXBHYKSSIGGL-UHFFFAOYSA-N
XLogP7.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 57.87
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-heptadecyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-heptadecyl-2,3,4,5-tetrahydropyridine (CID 54669810) is 6-heptadecyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-heptadecyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-heptadecyl-2,3,4,5-tetrahydropyridine is CCCCCCCCCCCCCCCCCC1=NCCCC1.
What is the InChIKey of 6-heptadecyl-2,3,4,5-tetrahydropyridine?
The InChIKey is NWRXBHYKSSIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-23-22/h2-21H2,1H3.
What are the key properties of 6-heptadecyl-2,3,4,5-tetrahydropyridine?
6-heptadecyl-2,3,4,5-tetrahydropyridine has a molecular weight of 321.59 g/mol, XLogP of 7.87, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptadecyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54669810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).