C81H195N33O9 — CID 159062074
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide (PubChem CID 159062074) has the molecular formula C81H195N33O9 and a molecular weight of 1775.67 g/mol. Its IUPAC name is N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide.
| Compound Name | N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide |
|---|---|
| PubChem CID | 159062074 |
| Molecular Formula | C81H195N33O9 |
| Molecular Weight | 1775.67 g/mol |
| Exact Mass | 1774.58 |
| IUPAC Name | N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide |
| SMILES | CC(=O)NCCCNCCCCNCCCNCCN.CC(=O)NCCCNCCCCNCCN.CC(=O)NCCCNCCCNCCN.CC(=O)NCCCNCCN.CC(=O)NCCNCCCCN.CC(=O)NCCNCCCN.CC(=O)NCCNCCCNCCN.CC(=O)NCCNCCN.CC(=O)NCCNCCNCCCN |
| InChI | InChI=1S/C14H33N5O.C11H26N4O.C10H24N4O.2C9H22N4O.C8H19N3O.2C7H17N3O.C6H15N3O/c1-14(20)19-12-5-11-17-8-3-2-7-16-9-4-10-18-13-6-15;1-11(16)15-9-4-8-13-6-2-3-7-14-10-5-12;1-10(15)14-8-3-7-12-5-2-6-13-9-4-11;1-9(14)13-8-7-12-5-2-4-11-6-3-10;1-9(14)13-8-7-12-6-5-11-4-2-3-10;1-8(12)11-7-6-10-5-3-2-4-9;1-7(11)10-5-2-4-9-6-3-8;1-7(11)10-6-5-9-4-2-3-8;1-6(10)9-5-4-8-3-2-7/h16-18H,2-13,15H2,1H3,(H,19,20);13-14H,2-10,12H2,1H3,(H,15,16);12-13H,2-9,11H2,1H3,(H,14,15);2*11-12H,2-8,10H2,1H3,(H,13,14);10H,2-7,9H2,1H3,(H,11,12);2*9H,2-6,8H2,1H3,(H,10,11);8H,2-5,7H2,1H3,(H,9,10) |
| InChIKey | JYPFFHLEKZEMSD-UHFFFAOYSA-N |
| XLogP | -8.57 |
| TPSA | 676.53 Ų |
| H-Bond Donors | 33 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 78 |
| Heavy Atoms | 123 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1775.67 |
| LogP ≤ 5 | -8.57 |
| H-Bond Donors ≤ 5 | 33 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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