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

C12H23N — CID 11805367

IUPAC6-heptyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCC1=NCCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2-11H2,1H3
InChIKeyFFSGTUBKCUAXSA-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.97
Rot. Bonds6

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

6-heptyl-2,3,4,5-tetrahydropyridine (PubChem CID 11805367) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 6-heptyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-heptyl-2,3,4,5-tetrahydropyridine
PubChem CID11805367
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name6-heptyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCC1=NCCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2-11H2,1H3
InChIKeyFFSGTUBKCUAXSA-UHFFFAOYSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.97
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-heptyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-heptyl-2,3,4,5-tetrahydropyridine (CID 11805367) is 6-heptyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-heptyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-heptyl-2,3,4,5-tetrahydropyridine is CCCCCCCC1=NCCCC1.
What is the InChIKey of 6-heptyl-2,3,4,5-tetrahydropyridine?
The InChIKey is FFSGTUBKCUAXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2-11H2,1H3.
What are the key properties of 6-heptyl-2,3,4,5-tetrahydropyridine?
6-heptyl-2,3,4,5-tetrahydropyridine has a molecular weight of 181.32 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 11805367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).