C141H301N27O20 — CID 162195603
N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N,3-dimethylbutanamide;N-(3-aminopropyl)-3-methylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;N,3-dimethylbutanamide;N,3-dimethyl-N-[2-(methylamino)ethyl]butanamide;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N,3-dimethylbutanamide;N-(2-methoxyethyl)-3-methylbutanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;3-methyl-N-[3-(methylamino)propyl]butanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-1-piperidin-1-ylbutan-1-one (PubChem CID 162195603) has the molecular formula C141H301N27O20 and a molecular weight of 2695.13 g/mol. Its IUPAC name is N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N,3-dimethylbutanamide;N-(3-aminopropyl)-3-methylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;N,3-dimethylbutanamide;N,3-dimethyl-N-[2-(methylamino)ethyl]butanamide;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N,3-dimethylbutanamide;N-(2-methoxyethyl)-3-methylbutanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;3-methyl-N-[3-(methylamino)propyl]butanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-1-piperidin-1-ylbutan-1-one.
| Compound Name | N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N,3-dimethylbutanamide;N-(3-aminopropyl)-3-methylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;N,3-dimethylbutanamide;N,3-dimethyl-N-[2-(methylamino)ethyl]butanamide;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N,3-dimethylbutanamide;N-(2-methoxyethyl)-3-methylbutanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;3-methyl-N-[3-(methylamino)propyl]butanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-1-piperidin-1-ylbutan-1-one |
|---|---|
| PubChem CID | 162195603 |
| Molecular Formula | C141H301N27O20 |
| Molecular Weight | 2695.13 g/mol |
| Exact Mass | 2693.34 |
| IUPAC Name | N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N,3-dimethylbutanamide;N-(3-aminopropyl)-3-methylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;N,3-dimethylbutanamide;N,3-dimethyl-N-[2-(methylamino)ethyl]butanamide;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N,3-dimethylbutanamide;N-(2-methoxyethyl)-3-methylbutanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;3-methyl-N-[3-(methylamino)propyl]butanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-1-piperidin-1-ylbutan-1-one |
| SMILES | CC(C)CC(=O)N(C)CCCN.CC(C)CC(=O)N(C)CCN.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NC1CCNCC1.CC(C)CC(=O)NCCCN.CC(C)CC(=O)NCCN.CC(C)CC(=O)NCCN(C)C.CC(C)CC(N)=O.CCNC(=O)CC(C)C.CNC(=O)CC(C)C.CNCCCNC(=O)CC(C)C.CNCCN(C)C(=O)CC(C)C.CNCCNC(=O)CC(C)C.COCCN(C)C(=O)CC(C)C.COCCNC(=O)CC(C)C |
| InChI | InChI=1S/2C10H20N2O.C10H19NO.4C9H20N2O.C9H17NO2.C9H19NO2.3C8H18N2O.C8H17NO2.C7H16N2O.C7H15NO.C6H13NO.C5H11NO/c1-9(2)8-10(13)12-6-4-11(3)5-7-12;1-8(2)7-10(13)12-9-3-5-11-6-4-9;1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(12)10-5-6-11(3)4;1-8(2)7-9(12)11(4)6-5-10-3;1-8(2)7-9(12)11(3)6-4-5-10;1-8(2)7-9(12)11-6-4-5-10-3;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9(11)10(3)5-6-12-4;1-7(2)6-8(11)10(3)5-4-9;1-7(2)6-8(11)10-5-4-9-3;1-7(2)6-8(11)10-5-3-4-9;1-7(2)6-8(10)9-4-5-11-3;1-6(2)5-7(10)9-4-3-8;1-4-8-7(9)5-6(2)3;1-5(2)4-6(8)7-3;1-4(2)3-5(6)7/h9H,4-8H2,1-3H3;8-9,11H,3-7H2,1-2H3,(H,12,13);9H,3-8H2,1-2H3;8H,5-7H2,1-4H3,(H,10,12);8,10H,5-7H2,1-4H3;8H,4-7,10H2,1-3H3;8,10H,4-7H2,1-3H3,(H,11,12);8H,3-7H2,1-2H3;8H,5-7H2,1-4H3;7H,4-6,9H2,1-3H3;7,9H,4-6H2,1-3H3,(H,10,11);7H,3-6,9H2,1-2H3,(H,10,11);7H,4-6H2,1-3H3,(H,9,10);6H,3-5,8H2,1-2H3,(H,9,10);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H2,6,7) |
| InChIKey | ZQWXJWOKGSNYIC-UHFFFAOYSA-N |
| XLogP | 13.48 |
| TPSA | 633.53 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2695.13 |
| LogP ≤ 5 | 13.48 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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