2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine

C20H41N7O8 — CID 172639428

About 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine

2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine (PubChem CID 172639428) has the molecular formula C20H41N7O8 and a molecular weight of 507.59 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine.

Molecular Properties

• Compound Name: 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
• PubChem CID: 172639428
• Molecular Formula: C20H41N7O8
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.30
• IUPAC Name: 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
• SMILES: [N-]=[N+]=NCCOCCOCCOCCOCCNCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C20H41N7O8/c21-26-24-3-7-30-11-15-34-19-17-32-13-9-28-5-1-23-2-6-29-10-14-33-18-20-35-16-12-31-8-4-25-27-22/h23H,1-20H2
• InChIKey: JNKYNFSOBSSGSG-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 183.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 30
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine?

The IUPAC name of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine (CID 172639428) is 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine.

What is the SMILES notation for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine?

The canonical SMILES for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine is [N-]=[N+]=NCCOCCOCCOCCOCCNCCOCCOCCOCCOCCN=[N+]=[N-].

What is the InChIKey of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine?

The InChIKey is JNKYNFSOBSSGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N7O8/c21-26-24-3-7-30-11-15-34-19-17-32-13-9-28-5-1-23-2-6-29-10-14-33-18-20-35-16-12-31-8-4-25-27-22/h23H,1-20H2.

What are the key properties of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine?

2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine has a molecular weight of 507.59 g/mol, XLogP of 1.33, 30 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine is sourced from PubChem (CID 172639428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).