C184H307N33O3S — CID 157487570
2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine (PubChem CID 157487570) has the molecular formula C184H307N33O3S and a molecular weight of 3061.77 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine.
| Compound Name | 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine |
|---|---|
| PubChem CID | 157487570 |
| Molecular Formula | C184H307N33O3S |
| Molecular Weight | 3061.77 g/mol |
| Exact Mass | 3059.46 |
| IUPAC Name | 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine |
| SMILES | C=C(N)c1ccnc(N2CC(C)C(C(C)(C)C)C2)n1.CC1CN(C(=O)C2(C)CC2)CC1C(C)(C)C.CC1CN(S(C)(=O)=O)CC1C(C)(C)C.CCC1CN(c2ccc(C)cn2)CC1C(C)(C)C.CCC1CN(c2ncc(C)cn2)CC1C(C)(C)C.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nn1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nn1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)cn1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1 |
| InChI | InChI=1S/C16H26N2.C15H24N4.C15H25N3.2C15H24N2.6C14H23N3.C14H25NO.C10H21NO2S/c1-6-13-10-18(11-14(13)16(3,4)5)15-8-7-12(2)9-17-15;1-10-8-19(9-12(10)15(3,4)5)14-17-7-6-13(18-14)11(2)16;1-6-12-9-18(10-13(12)15(3,4)5)14-16-7-11(2)8-17-14;2*1-11-6-7-14(16-8-11)17-9-12(2)13(10-17)15(3,4)5;1-10-8-17(9-12(10)14(3,4)5)13-7-15-11(2)6-16-13;3*1-10-6-15-13(16-7-10)17-8-11(2)12(9-17)14(3,4)5;2*1-10-8-17(9-12(10)14(3,4)5)13-7-6-11(2)15-16-13;1-10-8-15(9-11(10)13(2,3)4)12(16)14(5)6-7-14;1-8-6-11(14(5,12)13)7-9(8)10(2,3)4/h7-9,13-14H,6,10-11H2,1-5H3;6-7,10,12H,2,8-9,16H2,1,3-5H3;7-8,12-13H,6,9-10H2,1-5H3;2*6-8,12-13H,9-10H2,1-5H3;6-7,10,12H,8-9H2,1-5H3;3*6-7,11-12H,8-9H2,1-5H3;2*6-7,10,12H,8-9H2,1-5H3;10-11H,6-9H2,1-5H3;8-9H,6-7H2,1-5H3 |
| InChIKey | BWWWGJZCHJGJKL-UHFFFAOYSA-N |
| XLogP | 38.64 |
| TPSA | 364.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 221 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3061.77 |
| LogP ≤ 5 | 38.64 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 34 |