Pargyline

C₁₁H₁₃N — CID 4688

About Pargyline

Pargyline (PubChem CID 4688) has the molecular formula C₁₁H₁₃N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-benzyl-N-methylprop-2-yn-1-amine.

Molecular Properties

• Compound Name: Pargyline
• PubChem CID: 4688
• Molecular Formula: C₁₁H₁₃N
• Molecular Weight: 159.23 g/mol
• Exact Mass: 159.10
• IUPAC Name: N-benzyl-N-methylprop-2-yn-1-amine
• SMILES: C#CCN(C)Cc1ccccc1
• InChI: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
• InChIKey: DPWPWRLQFGFJFI-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	159.23
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Pargyline?

The IUPAC name of Pargyline (CID 4688) is N-benzyl-N-methylprop-2-yn-1-amine.

What is the SMILES notation for Pargyline?

The canonical SMILES for Pargyline is C#CCN(C)Cc1ccccc1.

What is the InChIKey of Pargyline?

The InChIKey is DPWPWRLQFGFJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3.

What are the key properties of Pargyline?

Pargyline has a molecular weight of 159.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Pargyline is sourced from PubChem (CID 4688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4688 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2065 — approved-drug record (CC BY-SA 4.0)

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