6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine

C34H39N7O2 — CID 23901094

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 23901094) has the molecular formula C34H39N7O2 and a molecular weight of 577.73 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 23901094
• Molecular Formula: C34H39N7O2
• Molecular Weight: 577.73 g/mol
• Exact Mass: 577.32
• IUPAC Name: 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: NCCOCCOCCNc1nc(NCc2ccccc2CCc2ccccc2)nc(Nc2ccc3ccccc3c2)n1
• InChI: InChI=1S/C34H39N7O2/c35-18-20-42-22-23-43-21-19-36-32-39-33(41-34(40-32)38-31-17-16-27-10-4-6-12-29(27)24-31)37-25-30-13-7-5-11-28(30)15-14-26-8-2-1-3-9-26/h1-13,16-17,24H,14-15,18-23,25,35H2,(H3,36,37,38,39,40,41)
• InChIKey: YKZCLBCWGCCBOU-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 119.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.73
LogP ≤ 5	5.57
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 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine (CID 23901094) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine is NCCOCCOCCNc1nc(NCc2ccccc2CCc2ccccc2)nc(Nc2ccc3ccccc3c2)n1.

What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is YKZCLBCWGCCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O2/c35-18-20-42-22-23-43-21-19-36-32-39-33(41-34(40-32)38-31-17-16-27-10-4-6-12-29(27)24-31)37-25-30-13-7-5-11-28(30)15-14-26-8-2-1-3-9-26/h1-13,16-17,24H,14-15,18-23,25,35H2,(H3,36,37,38,39,40,41).

What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 577.73 g/mol, XLogP of 5.57, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23901094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).