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

C19H37N — CID 54672246

IUPAC6-tetradecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h2-18H2,1H3
InChIKeyMPXOQAUKMDCUJV-UHFFFAOYSA-N
MW279.51 g/mol
LogP6.70
Rot. Bonds13

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

6-tetradecyl-2,3,4,5-tetrahydropyridine (PubChem CID 54672246) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 6-tetradecyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-tetradecyl-2,3,4,5-tetrahydropyridine
PubChem CID54672246
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name6-tetradecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCCCCC1=NCCCC1
InChIInChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h2-18H2,1H3
InChIKeyMPXOQAUKMDCUJV-UHFFFAOYSA-N
XLogP6.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.70
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-tetradecyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-tetradecyl-2,3,4,5-tetrahydropyridine (CID 54672246) is 6-tetradecyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-tetradecyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-tetradecyl-2,3,4,5-tetrahydropyridine is CCCCCCCCCCCCCCC1=NCCCC1.
What is the InChIKey of 6-tetradecyl-2,3,4,5-tetrahydropyridine?
The InChIKey is MPXOQAUKMDCUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h2-18H2,1H3.
What are the key properties of 6-tetradecyl-2,3,4,5-tetrahydropyridine?
6-tetradecyl-2,3,4,5-tetrahydropyridine has a molecular weight of 279.51 g/mol, XLogP of 6.70, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tetradecyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54672246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).