C147H220F6N16O13 — CID 162061947
benzyl N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(E)-N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine;N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]-3,4-bis(2,2,2-trifluoroethoxy)benzamide;[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine;(E)-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 162061947) has the molecular formula C147H220F6N16O13 and a molecular weight of 2533.46 g/mol. Its IUPAC name is benzyl N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(E)-N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine;N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]-3,4-bis(2,2,2-trifluoroethoxy)benzamide;[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine;(E)-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine.
| Compound Name | benzyl N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(E)-N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine;N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]-3,4-bis(2,2,2-trifluoroethoxy)benzamide;[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine;(E)-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine |
|---|---|
| PubChem CID | 162061947 |
| Molecular Formula | C147H220F6N16O13 |
| Molecular Weight | 2533.46 g/mol |
| Exact Mass | 2531.70 |
| IUPAC Name | benzyl N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(E)-N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine;N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]-3,4-bis(2,2,2-trifluoroethoxy)benzamide;[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine;(E)-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine |
| SMILES | C/C(=C\c1ccccc1)CN(CC1CCCN1CC1CCCCC1)C(=O)c1ccc(OCC(F)(F)F)c(OCC(F)(F)F)c1.C/C(=C\c1ccccc1)CNCC1CCCN1CC1CCCCC1.C/C(=C\c1ccccc1)CNC[C@@H]1CCCN1C1CCCCC1.CC(C)(C)OC(=O)N1CCC[C@H]1CN.CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)OCc1ccccc1.NC[C@@H]1CCCN1C1CCCCC1.O=C(NC[C@@H]1CCCN1)OCc1ccccc1.O=C(NC[C@@H]1CCCN1C1CCCCC1)OCc1ccccc1 |
| InChI | InChI=1S/C33H40F6N2O3.C22H34N2.C21H32N2.C19H28N2O2.C18H26N2O4.C13H18N2O2.C11H22N2.C10H20N2O2/c1-24(17-25-9-4-2-5-10-25)19-41(21-28-13-8-16-40(28)20-26-11-6-3-7-12-26)31(42)27-14-15-29(43-22-32(34,35)36)30(18-27)44-23-33(37,38)39;1-19(15-20-9-4-2-5-10-20)16-23-17-22-13-8-14-24(22)18-21-11-6-3-7-12-21;1-18(15-19-9-4-2-5-10-19)16-22-17-21-13-8-14-23(21)20-11-6-3-7-12-20;22-19(23-15-16-8-3-1-4-9-16)20-14-18-12-7-13-21(18)17-10-5-2-6-11-17;1-18(2,3)24-17(22)20-11-7-10-15(20)12-19-16(21)23-13-14-8-5-4-6-9-14;16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11;12-9-11-7-4-8-13(11)10-5-2-1-3-6-10;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h2,4-5,9-10,14-15,17-18,26,28H,3,6-8,11-13,16,19-23H2,1H3;2,4-5,9-10,15,21-23H,3,6-8,11-14,16-18H2,1H3;2,4-5,9-10,15,20-22H,3,6-8,11-14,16-17H2,1H3;1,3-4,8-9,17-18H,2,5-7,10-15H2,(H,20,22);4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21);1-3,5-6,12,14H,4,7-10H2,(H,15,16);10-11H,1-9,12H2;8H,4-7,11H2,1-3H3/b24-17+;19-15+;18-15+;;;;;/t;;21-;18-;15-;12-;11-;8-/m..000000/s1 |
| InChIKey | YZYOIKQIZDZLMG-AWRBVYRESA-N |
| XLogP | 29.13 |
| TPSA | 317.17 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2533.46 |
| LogP ≤ 5 | 29.13 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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