C156H299F2N33O12 — CID 160624308
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpyrrolidin-3-ol;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2,3-dimethylbutanoate;(1-propan-2-ylazetidin-3-yl) propanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 160624308) has the molecular formula C156H299F2N33O12 and a molecular weight of 2867.32 g/mol. Its IUPAC name is 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpyrrolidin-3-ol;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2,3-dimethylbutanoate;(1-propan-2-ylazetidin-3-yl) propanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.
| Compound Name | 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpyrrolidin-3-ol;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2,3-dimethylbutanoate;(1-propan-2-ylazetidin-3-yl) propanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine |
|---|---|
| PubChem CID | 160624308 |
| Molecular Formula | C156H299F2N33O12 |
| Molecular Weight | 2867.32 g/mol |
| Exact Mass | 2865.38 |
| IUPAC Name | 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpyrrolidin-3-ol;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2,3-dimethylbutanoate;(1-propan-2-ylazetidin-3-yl) propanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine |
| SMILES | C=C1CN(C(C)C)C1.CC(C)C(C)C(=O)OC1CN(C(C)C)C1.CC(C)N1CC(N)C(C#N)C1.CC(C)N1CC(N)C(O)C1.CC(C)N1CC(N)C2(CC2)C1.CC(C)N1CC(O)C(C#N)C1.CC(C)N1CC(O)C(N=[N+]=[N-])C1.CC(C)N1CC(OC(=O)C2CCCN2)C1.CC(C)N1CCC(CO)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC1C#N.CC1CN(C(C)C)CC1O.CCC(=O)OC1CN(C(C)C)C1.CCC1CCN(C(C)C)C1.COC1CN(C(C)C)CC1N |
| InChI | InChI=1S/C12H18N2.C12H23NO2.C11H17N3.C11H20N2O2.C9H18N2.C9H17NO2.C9H19N.C8H15N3.C8H18N2O.C8H14N2O.C8H14N2.2C8H17NO.C7H13F2N.C7H14N4O.C7H16N2O.C7H16N2.C7H13N/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-8(2)10(5)12(14)15-11-6-13(7-11)9(3)4;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-8(2)13-6-9(7-13)15-11(14)10-4-3-5-12-10;1-7(2)11-5-8(10)9(6-11)3-4-9;1-4-9(11)12-8-5-10(6-8)7(2)3;1-4-9-5-6-10(7-9)8(2)3;1-6(2)11-4-7(3-9)8(10)5-11;1-6(2)10-4-7(9)8(5-10)11-3;1-6(2)10-4-7(3-9)8(11)5-10;1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-6(2)10-4-3-7(8,9)5-10;1-5(2)11-3-6(9-10-8)7(12)4-11;1-5(2)9-3-6(8)7(10)4-9;1-6(2)9-4-3-7(8)5-9;1-6(2)8-4-7(3)5-8/h3-5,7,10-11H,6,8-9H2,1-2H3;8-11H,6-7H2,1-5H3;3,5-6,9-10H,4,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3;7-8H,3-6,10H2,1-2H3;7-8H,4-6H2,1-3H3;8-9H,4-7H2,1-3H3;6-8H,4-5,10H2,1-2H3;6-8H,4-5,9H2,1-3H3;6-8,11H,4-5H2,1-2H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5-7,12H,3-4H2,1-2H3;5-7,10H,3-4,8H2,1-2H3;6-7H,3-5,8H2,1-2H3;6H,3-5H2,1-2H3 |
| InChIKey | RHCDIHBHXMWBFM-UHFFFAOYSA-N |
| XLogP | 17.04 |
| TPSA | 548.53 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2867.32 |
| LogP ≤ 5 | 17.04 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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