4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine

C64H128N6O9 — CID 58841540

About 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 58841540) has the molecular formula C64H128N6O9 and a molecular weight of 1125.76 g/mol. Its IUPAC name is 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 58841540
• Molecular Formula: C64H128N6O9
• Molecular Weight: 1125.76 g/mol
• Exact Mass: 1124.97
• IUPAC Name: 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCCCCCCCCCOCCOCCOCCCNc1nc(NCCCOCCOCCOCCCCCCCCCCCC)nc(NCCCOCCOCCOCC(CCCCCC)CCCCCCCC)n1
• InChI: InChI=1S/C64H128N6O9/c1-5-9-13-17-20-22-24-26-29-33-43-71-48-53-76-55-50-73-45-35-40-65-62-68-63(66-41-36-46-74-51-56-77-54-49-72-44-34-30-27-25-23-21-18-14-10-6-2)70-64(69-62)67-42-37-47-75-52-57-78-58-59-79-60-61(38-31-16-12-8-4)39-32-28-19-15-11-7-3/h61H,5-60H2,1-4H3,(H3,65,66,67,68,69,70)
• InChIKey: YHHIWLLWHXCORQ-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 157.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 69
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.76
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine (CID 58841540) is 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCCCOCCOCCOCCCNc1nc(NCCCOCCOCCOCCCCCCCCCCCC)nc(NCCCOCCOCCOCC(CCCCCC)CCCCCCCC)n1.

What is the InChIKey of 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is YHHIWLLWHXCORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H128N6O9/c1-5-9-13-17-20-22-24-26-29-33-43-71-48-53-76-55-50-73-45-35-40-65-62-68-63(66-41-36-46-74-51-56-77-54-49-72-44-34-30-27-25-23-21-18-14-10-6-2)70-64(69-62)67-42-37-47-75-52-57-78-58-59-79-60-61(38-31-16-12-8-4)39-32-28-19-15-11-7-3/h61H,5-60H2,1-4H3,(H3,65,66,67,68,69,70).

What are the key properties of 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?

4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1125.76 g/mol, XLogP of 15.61, 69 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-bis[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-2-N-[3-[2-[2-(2-hexyldecoxy)ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58841540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).