5-hexyl-1,2-dihydropyridine

C11H19N — CID 69190826

IUPAC5-hexyl-1,2-dihydropyridine
SMILESCCCCCCC1=CNCC=C1
InChIInChI=1S/C11H19N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyCALHEURGZBHTGB-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.00
Rot. Bonds5

About 5-hexyl-1,2-dihydropyridine

5-hexyl-1,2-dihydropyridine (PubChem CID 69190826) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-hexyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-hexyl-1,2-dihydropyridine
PubChem CID69190826
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-hexyl-1,2-dihydropyridine
SMILESCCCCCCC1=CNCC=C1
InChIInChI=1S/C11H19N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyCALHEURGZBHTGB-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 5-hexyl-1,2-dihydropyridine?
The IUPAC name of 5-hexyl-1,2-dihydropyridine (CID 69190826) is 5-hexyl-1,2-dihydropyridine.
What is the SMILES notation for 5-hexyl-1,2-dihydropyridine?
The canonical SMILES for 5-hexyl-1,2-dihydropyridine is CCCCCCC1=CNCC=C1.
What is the InChIKey of 5-hexyl-1,2-dihydropyridine?
The InChIKey is CALHEURGZBHTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8,10,12H,2-5,7,9H2,1H3.
What are the key properties of 5-hexyl-1,2-dihydropyridine?
5-hexyl-1,2-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1,2-dihydropyridine is sourced from PubChem (CID 69190826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).