4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine

C51H98N22O18 — CID 176784783

IUPAC4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCN)c1nc(N(CCOCCN=[N+]=[N-])CCOCCN=[N+]=[N-])nc(N(CCOCCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCN=[N+]=[N-])n1
InChIInChI=1S/C51H98N22O18/c52-1-13-74-25-33-84-41-45-88-37-29-80-21-9-72(10-22-81-30-38-89-46-42-85-34-26-77-16-4-60-68-55)50-63-49(71(7-19-75-14-2-58-66-53)8-20-76-15-3-59-67-54)64-51(65-50)73(11-23-82-31-39-90-47-43-86-35-27-78-17-5-61-69-56)12-24-83-32-40-91-48-44-87-36-28-79-18-6-62-70-57/h1-48,52H2
InChIKeyOIQDNNUEEQGSIP-UHFFFAOYSA-N
MW1307.48 g/mol
LogP3.10
Rot. Bonds74

About 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine

4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 176784783) has the molecular formula C51H98N22O18 and a molecular weight of 1307.48 g/mol. Its IUPAC name is 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID176784783
Molecular FormulaC51H98N22O18
Molecular Weight1307.48 g/mol
Exact Mass1306.74
IUPAC Name4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCN)c1nc(N(CCOCCN=[N+]=[N-])CCOCCN=[N+]=[N-])nc(N(CCOCCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCN=[N+]=[N-])n1
InChIInChI=1S/C51H98N22O18/c52-1-13-74-25-33-84-41-45-88-37-29-80-21-9-72(10-22-81-30-38-89-46-42-85-34-26-77-16-4-60-68-55)50-63-49(71(7-19-75-14-2-58-66-53)8-20-76-15-3-59-67-54)64-51(65-50)73(11-23-82-31-39-90-47-43-86-35-27-78-17-5-61-69-56)12-24-83-32-40-91-48-44-87-36-28-79-18-6-62-70-57/h1-48,52H2
InChIKeyOIQDNNUEEQGSIP-UHFFFAOYSA-N
XLogP3.10
TPSA484.35 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds74
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001307.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 176784783) is 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine is [N-]=[N+]=NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCN)c1nc(N(CCOCCN=[N+]=[N-])CCOCCN=[N+]=[N-])nc(N(CCOCCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCN=[N+]=[N-])n1.
What is the InChIKey of 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OIQDNNUEEQGSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H98N22O18/c52-1-13-74-25-33-84-41-45-88-37-29-80-21-9-72(10-22-81-30-38-89-46-42-85-34-26-77-16-4-60-68-55)50-63-49(71(7-19-75-14-2-58-66-53)8-20-76-15-3-59-67-54)64-51(65-50)73(11-23-82-31-39-90-47-43-86-35-27-78-17-5-61-69-56)12-24-83-32-40-91-48-44-87-36-28-79-18-6-62-70-57/h1-48,52H2.
What are the key properties of 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine?
4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1307.48 g/mol, XLogP of 3.10, 74 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N,2-N,4-N-tris[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-N,6-N-bis[2-(2-azidoethoxy)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 176784783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).