C174H329FN30O7 — CID 157117534
3-azido-4-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;3-methylidene-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;bis(3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;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) (2S)-pyrrolidine-2-carboxylate;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 157117534) has the molecular formula C174H329FN30O7 and a molecular weight of 2972.75 g/mol. Its IUPAC name is 3-azido-4-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;3-methylidene-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;bis(3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;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) (2S)-pyrrolidine-2-carboxylate;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.
| Compound Name | 3-azido-4-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;3-methylidene-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;bis(3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;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) (2S)-pyrrolidine-2-carboxylate;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine |
|---|---|
| PubChem CID | 157117534 |
| Molecular Formula | C174H329FN30O7 |
| Molecular Weight | 2972.75 g/mol |
| Exact Mass | 2970.63 |
| IUPAC Name | 3-azido-4-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;3-methylidene-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;bis(3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;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) (2S)-pyrrolidine-2-carboxylate;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine |
| SMILES | C#CC1(C)CCN(C(C)C)C1.C#CC1CCCN1C(C)C.C#CC1CN(C(C)C)CC1N.C=C1CN(C(C)C)C1.CC(C)C(C)C(=O)OC1CN(C(C)C)C1.CC(C)N1CC(N)C2(CC2)C1.CC(C)N1CC(OC(=O)[C@@H]2CCCN2)C1.CC(C)N1CCC(C)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CN(C(C)C)CC1C#N.CC1CN(C(C)C)CC1N.CC1CN(C(C)C)CC1N=[N+]=[N-].CC1CN(C(C)C)CC1O.CCC(=O)OC1CN(C(C)C)C1.CCC1CCN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C |
| InChI | InChI=1S/C12H18N2.C12H23NO2.C11H17N3.C11H20N2O2.C10H17N.C9H18N2.2C9H16N2.C9H17NO2.2C9H19N.C9H15N.C8H16FN.C8H16N4.C8H18N2.C8H17NO.2C8H17N.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;1-5-10(4)6-7-11(8-10)9(2)3;1-7(2)11-5-8(10)9(6-11)3-4-9;1-7(2)11-5-8(3)9(4-10)6-11;1-4-8-5-11(7(2)3)6-9(8)10;1-4-9(11)12-8-5-10(6-8)7(2)3;1-4-9-5-6-10(7-9)8(2)3;2*1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-4-8(3,9)6-10;1-6(2)12-4-7(3)8(5-12)10-11-9;1-6(2)10-4-7(3)8(9)5-10;1-6(2)9-4-7(3)8(10)5-9;2*1-7(2)9-5-4-8(3)6-9;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;1,9H,6-8H2,2-4H3;7-8H,3-6,10H2,1-2H3;7-9H,5-6H2,1-3H3;1,7-9H,5-6,10H2,2-3H3;7-8H,4-6H2,1-3H3;2*8-9H,4-7H2,1-3H3;1,8-9H,5-7H2,2-3H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;6-8H,4-5,9H2,1-3H3;6-8,10H,4-5H2,1-3H3;2*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3/t;;;10-;;;;;;;9-;;;;;;;;/m...0......1......../s1 |
| InChIKey | AHOSNUMKBDZKQC-CPPDWPNESA-N |
| XLogP | 27.47 |
| TPSA | 362.00 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2972.75 |
| LogP ≤ 5 | 27.47 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 35 |
| 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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