C26H60N10O9 — CID 163523184
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 163523184) has the molecular formula C26H60N10O9 and a molecular weight of 656.83 g/mol. Its IUPAC name is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine.
| Compound Name | 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine |
|---|---|
| PubChem CID | 163523184 |
| Molecular Formula | C26H60N10O9 |
| Molecular Weight | 656.83 g/mol |
| Exact Mass | 656.45 |
| IUPAC Name | 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine |
| SMILES | CNCCOCCOCCOCCN.CNCCOCCOCCOCCN=[N+]=[N-].[N-]=[N+]=NCCOCCOCCOCCN |
| InChI | InChI=1S/C9H20N4O3.C9H22N2O3.C8H18N4O3/c1-11-2-4-14-6-8-16-9-7-15-5-3-12-13-10;1-11-3-5-13-7-9-14-8-6-12-4-2-10;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h11H,2-9H2,1H3;11H,2-10H2,1H3;1-9H2 |
| InChIKey | DMPBYCWQIRTRKJ-UHFFFAOYSA-N |
| XLogP | 0.09 |
| TPSA | 256.69 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 45 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 656.83 |
| LogP ≤ 5 | 0.09 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 15 |
| 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'} |
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