Noxiptiline

C₁₉H₂₂N₂O — CID 21087

About Noxiptiline

Noxiptiline (PubChem CID 21087) has the molecular formula C₁₉H₂₂N₂O and a molecular weight of 294.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethanamine.

Molecular Properties

• Compound Name: Noxiptiline
• PubChem CID: 21087
• Molecular Formula: C₁₉H₂₂N₂O
• Molecular Weight: 294.40 g/mol
• Exact Mass: 294.17
• IUPAC Name: N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethanamine
• SMILES: CN(C)CCON=C1c2ccccc2CCc2ccccc21
• InChI: InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3
• InChIKey: GPTURHKXTUDRPC-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.40
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Noxiptiline?

The IUPAC name of Noxiptiline (CID 21087) is N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethanamine.

What is the SMILES notation for Noxiptiline?

The canonical SMILES for Noxiptiline is CN(C)CCON=C1c2ccccc2CCc2ccccc21.

What is the InChIKey of Noxiptiline?

The InChIKey is GPTURHKXTUDRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3.

What are the key properties of Noxiptiline?

Noxiptiline has a molecular weight of 294.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Noxiptiline is sourced from PubChem (CID 21087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21087 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1975 — approved-drug record (CC BY-SA 4.0)

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