2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium

C15H30N3O8+ — CID 118988574

About 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium

2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium (PubChem CID 118988574) has the molecular formula C15H30N3O8+ and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium
• PubChem CID: 118988574
• Molecular Formula: C15H30N3O8+
• Molecular Weight: 380.42 g/mol
• Exact Mass: 380.20
• IUPAC Name: 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium
• SMILES: N=[N+]=NCCOCCOCCOCCOCCOCCOCCC(=O)O
• InChI: InChI=1S/C15H29N3O8/c16-18-17-2-4-22-6-8-24-10-12-26-14-13-25-11-9-23-7-5-21-3-1-15(19)20/h16H,1-14H2/p+1
• InChIKey: WCCGWCQBPNHUPZ-UHFFFAOYSA-O
• XLogP: 0.11
• TPSA: 142.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.42
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium?

The IUPAC name of 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium (CID 118988574) is 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium?

The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium is N=[N+]=NCCOCCOCCOCCOCCOCCOCCC(=O)O.

What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium?

The InChIKey is WCCGWCQBPNHUPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H29N3O8/c16-18-17-2-4-22-6-8-24-10-12-26-14-13-25-11-9-23-7-5-21-3-1-15(19)20/h16H,1-14H2/p+1.

What are the key properties of 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium?

2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium has a molecular weight of 380.42 g/mol, XLogP of 0.11, 21 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium is sourced from PubChem (CID 118988574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).