Desipramine

C₁₈H₂₂N₂ — CID 2995

About Desipramine

Desipramine (PubChem CID 2995) has the molecular formula C₁₈H₂₂N₂ and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: Desipramine
• PubChem CID: 2995
• Molecular Formula: C₁₈H₂₂N₂
• Molecular Weight: 266.39 g/mol
• Exact Mass: 266.18
• IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
• SMILES: CNCCCN1c2ccccc2CCc2ccccc21
• InChI: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
• InChIKey: HCYAFALTSJYZDH-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.39
LogP ≤ 5	3.53
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 Desipramine?

The IUPAC name of Desipramine (CID 2995) is 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine.

What is the SMILES notation for Desipramine?

The canonical SMILES for Desipramine is CNCCCN1c2ccccc2CCc2ccccc21.

What is the InChIKey of Desipramine?

The InChIKey is HCYAFALTSJYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3.

What are the key properties of Desipramine?

Desipramine has a molecular weight of 266.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Desipramine is sourced from PubChem (CID 2995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2995 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 812 — approved-drug record (CC BY-SA 4.0)

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