Tripelennamine

C₁₆H₂₁N₃ — CID 5587

About Tripelennamine

Tripelennamine (PubChem CID 5587) has the molecular formula C₁₆H₂₁N₃ and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

• Compound Name: Tripelennamine
• PubChem CID: 5587
• Molecular Formula: C₁₆H₂₁N₃
• Molecular Weight: 255.37 g/mol
• Exact Mass: 255.17
• IUPAC Name: N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
• SMILES: CN(C)CCN(Cc1ccccc1)c1ccccn1
• InChI: InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
• InChIKey: UFLGIAIHIAPJJC-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.37
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tripelennamine?

The IUPAC name of Tripelennamine (CID 5587) is N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

What is the SMILES notation for Tripelennamine?

The canonical SMILES for Tripelennamine is CN(C)CCN(Cc1ccccc1)c1ccccn1.

What is the InChIKey of Tripelennamine?

The InChIKey is UFLGIAIHIAPJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3.

What are the key properties of Tripelennamine?

Tripelennamine has a molecular weight of 255.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tripelennamine is sourced from PubChem (CID 5587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5587 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2762 — approved-drug record (CC BY-SA 4.0)

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