C162H332N32O17 — CID 159340342
N-(2-aminoethyl)-3-methylbutanamide;1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methylbutan-1-one;1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]-N,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one;N,3-dimethylbutanamide;3-methyl-N-(1-methylpiperidin-4-yl)butanamide;3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide;3-methyl-N-piperidin-3-ylbutanamide;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-N-(piperidin-3-ylmethyl)butanamide;3-methyl-N-(piperidin-4-ylmethyl)butanamide;3-methyl-N-pyrrolidin-3-ylbutanamide;3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;3-methyl-N-(pyrrolidin-3-ylmethyl)butanamide;N,N,3-trimethylbutanamide (PubChem CID 159340342) has the molecular formula C162H332N32O17 and a molecular weight of 3000.64 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methylbutanamide;1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methylbutan-1-one;1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]-N,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one;N,3-dimethylbutanamide;3-methyl-N-(1-methylpiperidin-4-yl)butanamide;3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide;3-methyl-N-piperidin-3-ylbutanamide;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-N-(piperidin-3-ylmethyl)butanamide;3-methyl-N-(piperidin-4-ylmethyl)butanamide;3-methyl-N-pyrrolidin-3-ylbutanamide;3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;3-methyl-N-(pyrrolidin-3-ylmethyl)butanamide;N,N,3-trimethylbutanamide.
| Compound Name | N-(2-aminoethyl)-3-methylbutanamide;1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methylbutan-1-one;1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]-N,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one;N,3-dimethylbutanamide;3-methyl-N-(1-methylpiperidin-4-yl)butanamide;3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide;3-methyl-N-piperidin-3-ylbutanamide;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-N-(piperidin-3-ylmethyl)butanamide;3-methyl-N-(piperidin-4-ylmethyl)butanamide;3-methyl-N-pyrrolidin-3-ylbutanamide;3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;3-methyl-N-(pyrrolidin-3-ylmethyl)butanamide;N,N,3-trimethylbutanamide |
|---|---|
| PubChem CID | 159340342 |
| Molecular Formula | C162H332N32O17 |
| Molecular Weight | 3000.64 g/mol |
| Exact Mass | 2998.61 |
| IUPAC Name | N-(2-aminoethyl)-3-methylbutanamide;1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methylbutan-1-one;1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]-N,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one;N,3-dimethylbutanamide;3-methyl-N-(1-methylpiperidin-4-yl)butanamide;3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide;3-methyl-N-piperidin-3-ylbutanamide;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-N-(piperidin-3-ylmethyl)butanamide;3-methyl-N-(piperidin-4-ylmethyl)butanamide;3-methyl-N-pyrrolidin-3-ylbutanamide;3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;3-methyl-N-(pyrrolidin-3-ylmethyl)butanamide;N,N,3-trimethylbutanamide |
| SMILES | CC(C)CC(=O)N(C)C.CC(C)CC(=O)N(C)CCN(C)C.CC(C)CC(=O)N1CCC(CN)C1.CC(C)CC(=O)N1CCC(N(C)C)C1.CC(C)CC(=O)N1CCC(N)C1.CC(C)CC(=O)NC1CCCNC1.CC(C)CC(=O)NC1CCN(C)CC1.CC(C)CC(=O)NC1CCNC1.CC(C)CC(=O)NC1CCNCC1.CC(C)CC(=O)NCC1CCCN1.CC(C)CC(=O)NCC1CCCNC1.CC(C)CC(=O)NCC1CCN(C)C1.CC(C)CC(=O)NCC1CCNC1.CC(C)CC(=O)NCC1CCNCC1.CC(C)CC(=O)NCCN.CC(C)CC(=O)NCCN(C)C.CNC(=O)CC(C)C |
| InChI | InChI=1S/5C11H22N2O.5C10H20N2O.C10H22N2O.2C9H18N2O.C9H20N2O.C7H16N2O.C7H15NO.C6H13NO/c1-9(2)7-11(14)13-6-5-10(8-13)12(3)4;1-9(2)8-11(14)12-10-4-6-13(3)7-5-10;1-9(2)6-11(14)12-7-10-4-5-13(3)8-10;1-9(2)7-11(14)13-8-10-3-5-12-6-4-10;1-9(2)6-11(14)13-8-10-4-3-5-12-7-10;1-8(2)7-10(13)12-9-3-5-11-6-4-9;1-8(2)5-10(13)12-4-3-9(6-11)7-12;1-8(2)5-10(13)12-7-9-3-4-11-6-9;1-8(2)6-10(13)12-7-9-4-3-5-11-9;1-8(2)6-10(13)12-9-4-3-5-11-7-9;1-9(2)8-10(13)12(5)7-6-11(3)4;1-7(2)5-9(12)11-4-3-8(10)6-11;1-7(2)5-9(12)11-8-3-4-10-6-8;1-8(2)7-9(12)10-5-6-11(3)4;1-6(2)5-7(10)9-4-3-8;1-6(2)5-7(9)8(3)4;1-5(2)4-6(8)7-3/h9-10H,5-8H2,1-4H3;2*9-10H,4-8H2,1-3H3,(H,12,14);2*9-10,12H,3-8H2,1-2H3,(H,13,14);8-9,11H,3-7H2,1-2H3,(H,12,13);8-9H,3-7,11H2,1-2H3;3*8-9,11H,3-7H2,1-2H3,(H,12,13);9H,6-8H2,1-5H3;7-8H,3-6,10H2,1-2H3;7-8,10H,3-6H2,1-2H3,(H,11,12);8H,5-7H2,1-4H3,(H,10,12);6H,3-5,8H2,1-2H3,(H,9,10);6H,5H2,1-4H3;5H,4H2,1-3H3,(H,7,8) |
| InChIKey | LGBDYOABSQAJON-UHFFFAOYSA-N |
| XLogP | 15.01 |
| TPSA | 629.22 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3000.64 |
| LogP ≤ 5 | 15.01 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 32 |