C178H380N32O7 — CID 158861848
1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;(2S)-1,2-dimethyl-4-(2-methylpropyl)piperazine;N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;N-(2-methoxyethyl)propan-2-amine;2-methylbutane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide;2-methyl-N-[(3R)-piperidin-3-yl]propanamide;2-methylpropane;1-(2-methylpropyl)piperazine;1-[1-(2-methylpropyl)piperidin-4-yl]butan-1-one;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;1-(2-methylpropyl)-4-piperidin-1-ylpiperidine;1-(2-methylpropyl)-4-propylpiperazine;1-(2-methylpropyl)-4-pyrrolidin-1-ylpiperidine;bis(propan-2-amine);2-(propan-2-ylamino)acetonitrile;1,2,2-trimethyl-4-(2-methylpropyl)piperazine (PubChem CID 158861848) has the molecular formula C178H380N32O7 and a molecular weight of 3081.21 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;(2S)-1,2-dimethyl-4-(2-methylpropyl)piperazine;N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;N-(2-methoxyethyl)propan-2-amine;2-methylbutane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide;2-methyl-N-[(3R)-piperidin-3-yl]propanamide;2-methylpropane;1-(2-methylpropyl)piperazine;1-[1-(2-methylpropyl)piperidin-4-yl]butan-1-one;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;1-(2-methylpropyl)-4-piperidin-1-ylpiperidine;1-(2-methylpropyl)-4-propylpiperazine;1-(2-methylpropyl)-4-pyrrolidin-1-ylpiperidine;bis(propan-2-amine);2-(propan-2-ylamino)acetonitrile;1,2,2-trimethyl-4-(2-methylpropyl)piperazine.
| Compound Name | 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;(2S)-1,2-dimethyl-4-(2-methylpropyl)piperazine;N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;N-(2-methoxyethyl)propan-2-amine;2-methylbutane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide;2-methyl-N-[(3R)-piperidin-3-yl]propanamide;2-methylpropane;1-(2-methylpropyl)piperazine;1-[1-(2-methylpropyl)piperidin-4-yl]butan-1-one;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;1-(2-methylpropyl)-4-piperidin-1-ylpiperidine;1-(2-methylpropyl)-4-propylpiperazine;1-(2-methylpropyl)-4-pyrrolidin-1-ylpiperidine;bis(propan-2-amine);2-(propan-2-ylamino)acetonitrile;1,2,2-trimethyl-4-(2-methylpropyl)piperazine |
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| PubChem CID | 158861848 |
| Molecular Formula | C178H380N32O7 |
| Molecular Weight | 3081.21 g/mol |
| Exact Mass | 3079.04 |
| IUPAC Name | 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;(2S)-1,2-dimethyl-4-(2-methylpropyl)piperazine;N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;N-(2-methoxyethyl)propan-2-amine;2-methylbutane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide;2-methyl-N-[(3R)-piperidin-3-yl]propanamide;2-methylpropane;1-(2-methylpropyl)piperazine;1-[1-(2-methylpropyl)piperidin-4-yl]butan-1-one;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;1-(2-methylpropyl)-4-piperidin-1-ylpiperidine;1-(2-methylpropyl)-4-propylpiperazine;1-(2-methylpropyl)-4-pyrrolidin-1-ylpiperidine;bis(propan-2-amine);2-(propan-2-ylamino)acetonitrile;1,2,2-trimethyl-4-(2-methylpropyl)piperazine |
| SMILES | CC(C)C.CC(C)C(=O)N1CC(N)C1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)N[C@@H]1CCCNC1.CC(C)CN1CCC(N(C)C)CC1.CC(C)CN1CCC(N2CCCC2)CC1.CC(C)CN1CCC(N2CCCCC2)CC1.CC(C)CN1CCC(N2CCOCC2)CC1.CC(C)CN1CCC(NC(=O)C(C)C)CC1.CC(C)CN1CCN(C)C(C)(C)C1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCN(C)[C@@H](C)C1.CC(C)CN1CCNCC1.CC(C)N.CC(C)N.CC(C)NCC#N.CCC(C)C.CCCC(=O)C1CCN(CC(C)C)CC1.CCCN1CCN(CC(C)C)CC1.COCCNC(C)C |
| InChI | InChI=1S/C14H28N2.2C13H26N2O.C13H26N2.C13H25NO.3C11H24N2.C10H20N2O.C10H22N2.C9H18N2O.C9H20N2.C8H18N2.C7H14N2O.C6H15NO.C5H10N2.C5H12.C4H10.2C3H9N/c1-13(2)12-15-10-6-14(7-11-15)16-8-4-3-5-9-16;1-12(2)11-14-5-3-13(4-6-14)15-7-9-16-10-8-15;1-10(2)9-15-7-5-12(6-8-15)14-13(16)11(3)4;1-12(2)11-14-9-5-13(6-10-14)15-7-3-4-8-15;1-4-5-13(15)12-6-8-14(9-7-12)10-11(2)3;1-10(2)8-13-7-6-12(5)11(3,4)9-13;1-10(2)9-13-7-5-11(6-8-13)12(3)4;1-4-5-12-6-8-13(9-7-12)10-11(2)3;1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)7-12-6-5-11(4)10(3)8-12;1-7(2)9(12)11-8-4-3-5-10-6-8;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-10-5-3-9-4-6-10;1-5(2)7(10)9-3-6(8)4-9;1-6(2)7-4-5-8-3;1-5(2)7-4-3-6;1-4-5(2)3;1-4(2)3;2*1-3(2)4/h13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;10-12H,5-9H2,1-4H3,(H,14,16);12-13H,3-11H2,1-2H3;11-12H,4-10H2,1-3H3;10H,6-9H2,1-5H3;10-11H,5-9H2,1-4H3;11H,4-10H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);9-10H,5-8H2,1-4H3;7-8,10H,3-6H2,1-2H3,(H,11,12);9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;5-6H,3-4,8H2,1-2H3;6-7H,4-5H2,1-3H3;5,7H,4H2,1-2H3;5H,4H2,1-3H3;4H,1-3H3;2*3H,4H2,1-2H3/t;;;;;;;;;10-;8-;;;;;;;;;/m.........01........./s1 |
| InChIKey | JATGOUBVZZIWMI-PXJNXJJESA-N |
| XLogP | 25.30 |
| TPSA | 357.91 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3081.21 |
| LogP ≤ 5 | 25.30 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'} |
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