C251H435N19O28 — CID 167605421
3,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)cyclohexyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[4-(3,3-dimethylbutan-2-yl)phenyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-(6-methylhept-1-ynyl)-5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]pyridine;2-[(E)-4-methylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyridine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyrimidine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine (PubChem CID 167605421) has the molecular formula C251H435N19O28 and a molecular weight of 4167.35 g/mol. Its IUPAC name is 3,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)cyclohexyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[4-(3,3-dimethylbutan-2-yl)phenyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-(6-methylhept-1-ynyl)-5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]pyridine;2-[(E)-4-methylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyridine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyrimidine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine.
| Compound Name | 3,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)cyclohexyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[4-(3,3-dimethylbutan-2-yl)phenyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-(6-methylhept-1-ynyl)-5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]pyridine;2-[(E)-4-methylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyridine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyrimidine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine |
|---|---|
| PubChem CID | 167605421 |
| Molecular Formula | C251H435N19O28 |
| Molecular Weight | 4167.35 g/mol |
| Exact Mass | 4164.32 |
| IUPAC Name | 3,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)cyclohexyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[4-(3,3-dimethylbutan-2-yl)phenyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-(6-methylhept-1-ynyl)-5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]pyridine;2-[(E)-4-methylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyridine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyrimidine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine |
| SMILES | CC(C)(C)CCOC1CC(OCCN2CCN(CCOC(C)(C)C)CC2)C1.CC(C)(C)OCC#Cc1ccc(CCOC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OCC#Cc1ncc(CCOC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OCCN1CC2CC(C1)N2CCOC(C)(C)C.CC(C)(C)OCCN1CCN(CCOC2CC(OC(C)(C)C)C2)CC1.CC(C)C/C=C/c1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)CCCC#Cc1ccc(CCOC2CC(OC(C)(C)C)C2)cn1.CC(C)CCN1CCN(CCOC2CC(OCCC(C)(C)C)C2)CC1.CC(C)OC/C=C/c1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)OCCC#Cc1ccc(CCOC2CC(OC(C)(C)C)C2)cn1.CC(C1CCC(N2CCN(CCOC(C)(C)C)CC2)CC1)C(C)(C)C.CC(c1ccc(CN2CCN(CCOC(C)(C)C)CC2)cc1)C(C)(C)C |
| InChI | InChI=1S/C23H40N2O.C23H35NO2.C22H44N2O3.C22H44N2O.2C22H33NO3.C21H32N2O3.C21H42N2O2.C20H40N2O3.C19H29NO3.C19H29NO2.C17H34N2O2/c1-19(22(2,3)4)21-10-8-20(9-11-21)18-25-14-12-24(13-15-25)16-17-26-23(5,6)7;1-18(2)9-7-6-8-10-20-12-11-19(17-24-20)13-14-25-21-15-22(16-21)26-23(3,4)5;1-21(2,3)7-14-25-19-17-20(18-19)26-15-12-23-8-10-24(11-9-23)13-16-27-22(4,5)6;1-18(21(2,3)4)19-8-10-20(11-9-19)24-14-12-23(13-15-24)16-17-25-22(5,6)7;1-21(2,3)25-12-7-8-18-10-9-17(16-23-18)11-13-24-19-14-20(15-19)26-22(4,5)6;1-17(2)24-12-7-6-8-19-10-9-18(16-23-19)11-13-25-20-14-21(15-20)26-22(3,4)5;1-20(2,3)25-10-7-8-19-22-14-16(15-23-19)9-11-24-17-12-18(13-17)26-21(4,5)6;1-18(2)6-8-22-9-11-23(12-10-22)13-15-25-20-16-19(17-20)24-14-7-21(3,4)5;1-19(2,3)24-14-12-22-9-7-21(8-10-22)11-13-23-17-15-18(16-17)25-20(4,5)6;1-14(2)21-10-6-7-15-8-9-16(13-20-15)22-17-11-18(12-17)23-19(3,4)5;1-14(2)7-6-8-15-9-10-16(13-20-15)21-17-11-18(12-17)22-19(3,4)5;1-16(2,3)20-9-7-18-12-14-11-15(13-18)19(14)8-10-21-17(4,5)6/h8-11,19H,12-18H2,1-7H3;11-12,17-18,21-22H,6-7,9,13-16H2,1-5H3;19-20H,7-18H2,1-6H3;18-20H,8-17H2,1-7H3;9-10,16,19-20H,11-15H2,1-6H3;9-10,16-17,20-21H,7,11-15H2,1-5H3;14-15,17-18H,9-13H2,1-6H3;18-20H,6-17H2,1-5H3;17-18H,7-16H2,1-6H3;6-9,13-14,17-18H,10-12H2,1-5H3;6,8-10,13-14,17-18H,7,11-12H2,1-5H3;14-15H,7-13H2,1-6H3/b;;;;;;;;;7-6+;8-6+; |
| InChIKey | KHUNZHIXJWHCLQ-JJDPJSPSSA-N |
| XLogP | 47.79 |
| TPSA | 387.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 86 |
| Heavy Atoms | 298 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4167.35 |
| LogP ≤ 5 | 47.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 47 |