6-butyl-1,2,3,6-tetrahydropyridine

C9H17N — CID 55286440

IUPAC6-butyl-1,2,3,6-tetrahydropyridine
SMILESCCCCC1C=CCCN1
InChIInChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyJCWJCFARCXVCIU-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds3

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

6-butyl-1,2,3,6-tetrahydropyridine (PubChem CID 55286440) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-butyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-butyl-1,2,3,6-tetrahydropyridine
PubChem CID55286440
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-butyl-1,2,3,6-tetrahydropyridine
SMILESCCCCC1C=CCCN1
InChIInChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyJCWJCFARCXVCIU-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-butyl-1,2,3,6-tetrahydropyridine (CID 55286440) is 6-butyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-butyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-butyl-1,2,3,6-tetrahydropyridine is CCCCC1C=CCCN1.
What is the InChIKey of 6-butyl-1,2,3,6-tetrahydropyridine?
The InChIKey is JCWJCFARCXVCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of 6-butyl-1,2,3,6-tetrahydropyridine?
6-butyl-1,2,3,6-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 55286440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).