6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine

C14H25N — CID 146683591

IUPAC6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine
SMILESCCCCCCC/C=C/C1=NCCCC1
InChIInChI=1S/C14H25N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h8,11H,2-7,9-10,12-13H2,1H3/b11-8+
InChIKeyYXJJGXZENUGDOF-DHZHZOJOSA-N
MW207.36 g/mol
LogP4.53
Rot. Bonds7

About 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine

6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine (PubChem CID 146683591) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine
PubChem CID146683591
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine
SMILESCCCCCCC/C=C/C1=NCCCC1
InChIInChI=1S/C14H25N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h8,11H,2-7,9-10,12-13H2,1H3/b11-8+
InChIKeyYXJJGXZENUGDOF-DHZHZOJOSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.53
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-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine (CID 146683591) is 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine is CCCCCCC/C=C/C1=NCCCC1.
What is the InChIKey of 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is YXJJGXZENUGDOF-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H25N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h8,11H,2-7,9-10,12-13H2,1H3/b11-8+.
What are the key properties of 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine?
6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-non-1-enyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 146683591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).