C159H295F2N29O7 — CID 158662662
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;3,3-difluoro-1-propan-2-ylpyrrolidine;(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) (2S)-2-amino-3-methylbutanoate;(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-ylpyrrolidin-2-yl]methanol;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;(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 158662662) has the molecular formula C159H295F2N29O7 and a molecular weight of 2763.30 g/mol. Its IUPAC name is 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;3,3-difluoro-1-propan-2-ylpyrrolidine;(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) (2S)-2-amino-3-methylbutanoate;(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-ylpyrrolidin-2-yl]methanol;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;(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 | 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;3,3-difluoro-1-propan-2-ylpyrrolidine;(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) (2S)-2-amino-3-methylbutanoate;(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-ylpyrrolidin-2-yl]methanol;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;(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 | 158662662 |
| Molecular Formula | C159H295F2N29O7 |
| Molecular Weight | 2763.30 g/mol |
| Exact Mass | 2761.36 |
| IUPAC Name | 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;3,3-difluoro-1-propan-2-ylpyrrolidine;(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) (2S)-2-amino-3-methylbutanoate;(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-ylpyrrolidin-2-yl]methanol;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;(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 | CC(C)N1CC(N)C(C#N)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)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CCC[C@H]1CO.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](CO)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.CC(C)[C@H](N)C(=O)OC1CN(C(C)C)C1 |
| InChI | InChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H22N2O2.C9H18N2.C9H16N2.C8H15N3.C8H18N2.C8H14N2.2C8H17NO.C8H17N.C7H13F2N.C7H16N2.C7H15NO2/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;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;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;1-6(2)11-4-7(3-9)8(10)5-11;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-4-3-8(5-9)6-10;1-7(2)9-5-3-4-8(9)6-10;1-7(2)9-5-4-8(3)6-9;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/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;7-10H,5-6,12H2,1-4H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;6-8H,4-5,10H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;2*7-8,10H,3-6H2,1-2H3;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/t;;12-;;;10-;8-;;;5*8-;;7-;6-,7-/m..0..01..00101.00/s1 |
| InChIKey | ICYJRTDZFBWJEG-JFYSSBJCSA-N |
| XLogP | 21.67 |
| TPSA | 414.91 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2763.30 |
| LogP ≤ 5 | 21.67 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 36 |