imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium

C37H63N8O13+ — CID 138393272

About imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium

imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium (PubChem CID 138393272) has the molecular formula C37H63N8O13+ and a molecular weight of 827.95 g/mol. Its IUPAC name is imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium.

Molecular Properties

• Compound Name: imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium
• PubChem CID: 138393272
• Molecular Formula: C37H63N8O13+
• Molecular Weight: 827.95 g/mol
• Exact Mass: 827.45
• IUPAC Name: imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium
• SMILES: Cc1nnc(-c2ccc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=N)cc2)nn1
• InChI: InChI=1S/C37H62N8O13/c1-33-41-43-37(44-42-33)35-4-2-34(3-5-35)32-39-36(46)6-8-47-10-12-49-14-16-51-18-20-53-22-24-55-26-28-57-30-31-58-29-27-56-25-23-54-21-19-52-17-15-50-13-11-48-9-7-40-45-38/h2-5,38H,6-32H2,1H3/p+1
• InChIKey: MHJCKPICAICWEJ-UHFFFAOYSA-O
• XLogP: 1.00
• TPSA: 241.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 42
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.95
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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 imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium?

The IUPAC name of imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium (CID 138393272) is imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium.

What is the SMILES notation for imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium?

The canonical SMILES for imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium is Cc1nnc(-c2ccc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=N)cc2)nn1.

What is the InChIKey of imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium?

The InChIKey is MHJCKPICAICWEJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C37H62N8O13/c1-33-41-43-37(44-42-33)35-4-2-34(3-5-35)32-39-36(46)6-8-47-10-12-49-14-16-51-18-20-53-22-24-55-26-28-57-30-31-58-29-27-56-25-23-54-21-19-52-17-15-50-13-11-48-9-7-40-45-38/h2-5,38H,6-32H2,1H3/p+1.

What are the key properties of imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium?

imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium has a molecular weight of 827.95 g/mol, XLogP of 1.00, 42 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium is sourced from PubChem (CID 138393272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).