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

C21H41N — CID 54669809

IUPAC6-hexadecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C21H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22-21/h2-20H2,1H3
InChIKeyCONNDXGZVSUUIR-UHFFFAOYSA-N
MW307.57 g/mol
LogP7.48
Rot. Bonds15

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

6-hexadecyl-2,3,4,5-tetrahydropyridine (PubChem CID 54669809) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is 6-hexadecyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-hexadecyl-2,3,4,5-tetrahydropyridine
PubChem CID54669809
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name6-hexadecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C21H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22-21/h2-20H2,1H3
InChIKeyCONNDXGZVSUUIR-UHFFFAOYSA-N
XLogP7.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.48
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-hexadecyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-hexadecyl-2,3,4,5-tetrahydropyridine (CID 54669809) is 6-hexadecyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-hexadecyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-hexadecyl-2,3,4,5-tetrahydropyridine is CCCCCCCCCCCCCCCCC1=NCCCC1.
What is the InChIKey of 6-hexadecyl-2,3,4,5-tetrahydropyridine?
The InChIKey is CONNDXGZVSUUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22-21/h2-20H2,1H3.
What are the key properties of 6-hexadecyl-2,3,4,5-tetrahydropyridine?
6-hexadecyl-2,3,4,5-tetrahydropyridine has a molecular weight of 307.57 g/mol, XLogP of 7.48, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexadecyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54669809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).