2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine

C28H41N7O2 — CID 23984657

About 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23984657) has the molecular formula C28H41N7O2 and a molecular weight of 507.68 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 23984657
• Molecular Formula: C28H41N7O2
• Molecular Weight: 507.68 g/mol
• Exact Mass: 507.33
• IUPAC Name: 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCNc1nc(NCCOCCOCCN)nc(NCCC(c2ccccc2)c2ccccc2)n1
• InChI: InChI=1S/C28H41N7O2/c1-2-3-16-30-26-33-27(35-28(34-26)32-18-20-37-22-21-36-19-15-29)31-17-14-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,25H,2-3,14-22,29H2,1H3,(H3,30,31,32,33,34,35)
• InChIKey: FOBXKZQGDGKWRJ-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 119.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.68
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 23984657) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(NCCOCCOCCN)nc(NCCC(c2ccccc2)c2ccccc2)n1.

What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is FOBXKZQGDGKWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N7O2/c1-2-3-16-30-26-33-27(35-28(34-26)32-18-20-37-22-21-36-19-15-29)31-17-14-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,25H,2-3,14-22,29H2,1H3,(H3,30,31,32,33,34,35).

What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine?

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 507.68 g/mol, XLogP of 4.12, 19 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23984657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).