Amineptin

C₂₂H₂₇NO₂ — CID 38988248

About Amineptin

Amineptin (PubChem CID 38988248) has the molecular formula C₂₂H₂₇NO₂ and a molecular weight of 337.46 g/mol. Its IUPAC name is 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate.

Molecular Properties

• Compound Name: Amineptin
• PubChem CID: 38988248
• Molecular Formula: C₂₂H₂₇NO₂
• Molecular Weight: 337.46 g/mol
• Exact Mass: 337.20
• IUPAC Name: 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate
• SMILES: O=C([O-])CCCCCC[NH2+]C1c2ccccc2CCc2ccccc21
• InChI: InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)
• InChIKey: ONNOFKFOZAJDHT-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 56.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.46
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Amineptin?

The IUPAC name of Amineptin (CID 38988248) is 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate.

What is the SMILES notation for Amineptin?

The canonical SMILES for Amineptin is O=C([O-])CCCCCC[NH2+]C1c2ccccc2CCc2ccccc21.

What is the InChIKey of Amineptin?

The InChIKey is ONNOFKFOZAJDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25).

What are the key properties of Amineptin?

Amineptin has a molecular weight of 337.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Amineptin is sourced from PubChem (CID 38988248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 38988248 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 161 — approved-drug record (CC BY-SA 4.0)

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