6-pentyl-1,2,3,6-tetrahydropyridine

C10H19N — CID 70203717

IUPAC6-pentyl-1,2,3,6-tetrahydropyridine
SMILESCCCCCC1C=CCCN1
InChIInChI=1S/C10H19N/c1-2-3-4-7-10-8-5-6-9-11-10/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyKEBHIGRAAXPFIU-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.48
Rot. Bonds4

About 6-pentyl-1,2,3,6-tetrahydropyridine

6-pentyl-1,2,3,6-tetrahydropyridine (PubChem CID 70203717) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 6-pentyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-pentyl-1,2,3,6-tetrahydropyridine
PubChem CID70203717
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name6-pentyl-1,2,3,6-tetrahydropyridine
SMILESCCCCCC1C=CCCN1
InChIInChI=1S/C10H19N/c1-2-3-4-7-10-8-5-6-9-11-10/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyKEBHIGRAAXPFIU-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-pentyl-1,2,3,6-tetrahydropyridine (CID 70203717) is 6-pentyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-pentyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-pentyl-1,2,3,6-tetrahydropyridine is CCCCCC1C=CCCN1.
What is the InChIKey of 6-pentyl-1,2,3,6-tetrahydropyridine?
The InChIKey is KEBHIGRAAXPFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-3-4-7-10-8-5-6-9-11-10/h5,8,10-11H,2-4,6-7,9H2,1H3.
What are the key properties of 6-pentyl-1,2,3,6-tetrahydropyridine?
6-pentyl-1,2,3,6-tetrahydropyridine has a molecular weight of 153.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 70203717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).