C215H410F2N34O6 — CID 159358794
3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 159358794) has the molecular formula C215H410F2N34O6 and a molecular weight of 3605.87 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.
| Compound Name | 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine |
|---|---|
| PubChem CID | 159358794 |
| Molecular Formula | C215H410F2N34O6 |
| Molecular Weight | 3605.87 g/mol |
| Exact Mass | 3603.28 |
| IUPAC Name | 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine |
| SMILES | C.C.C#CC1CCN(C(C)C)CC1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@H](O)[C@@H](O)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCN(C(C)C)C1.CC[C@@H]1C[C@H](N)CN1C(C)C |
| InChI | InChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C10H17N.C9H18N2.C9H16N2.C9H20N2.4C9H19N.C8H18N2.C8H14N2.C8H17NO.2C8H17N.C7H13F2N.C7H16N2.C7H15NO2.C7H15NO.2CH4/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)11-5-4-9(3,6-10)7-11;1-4-9-5-8(10)6-11(9)7(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-4-9-5-6-10(7-9)8(2)3;1-4-9-6-5-7-10(9)8(2)3;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-5(2)8-3-6(9)7(10)4-8;1-6(2)8-3-7(4-8)5-9;;/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9-10H,5-8H2,2-3H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;7-9H,4-6,10H2,1-3H3;4*8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-7,9-10H,3-4H2,1-2H3;6-7,9H,3-5H2,1-2H3;2*1H4/t;;12-;;;;;8-;;8-,9+;;;2*9-;2*8-;;8-;;;7-;6-,7-;;;/m..0....1.0..1100.1..00.../s1 |
| InChIKey | LIGNUTFHJGEHAZ-PGZHJJAISA-N |
| XLogP | 36.65 |
| TPSA | 380.36 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 257 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3605.87 |
| LogP ≤ 5 | 36.65 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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