C282H509F2N37O18 — CID 158308200
N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]oxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine (PubChem CID 158308200) has the molecular formula C282H509F2N37O18 and a molecular weight of 4744.41 g/mol. Its IUPAC name is N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]oxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine.
| Compound Name | N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]oxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine |
|---|---|
| PubChem CID | 158308200 |
| Molecular Formula | C282H509F2N37O18 |
| Molecular Weight | 4744.41 g/mol |
| Exact Mass | 4741.00 |
| IUPAC Name | N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]oxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine |
| SMILES | CC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)CCCCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCOC1CC(OCCNC(C)(C)C)C1.CC(C)(C)COc1ccc(N2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccnc(N2CCN(C(C)(C)C)CC2)c1.CC(C)(C)Cc1cccc(C(=O)N2CCN(C(C)(C)C)CC2)c1.CC(C)(C)NC1CC(OCCOC(C)(C)C)C1.CC(C)(C)NC1CC(Oc2ccc(OC(C)(C)C)cn2)C1.CC(C)(C)NC1CC(Oc2ccnc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NC1CCN(c2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CN(c2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CN(c2ccc(C(C)(C)C)cn2)C1.CC(C)(C)c1ccnc(N2CCN(C(C)(C)C)CC2)c1 |
| InChI | InChI=1S/C20H32N2O.C18H31N3O.C18H30N2O2.C17H29N3O.2C17H29N3.C17H28N2O2.C17H28N2O.C17H34N2O.C17H35NO3.C16H27N3O.2C16H27N3.C16H34N2O.C15H32N2O.C14H28F2O.C14H29NO2/c1-19(2,3)15-16-8-7-9-17(14-16)18(23)21-10-12-22(13-11-21)20(4,5)6;1-17(2,3)14-22-15-7-8-19-16(13-15)20-9-11-21(12-10-20)18(4,5)6;1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-16(2,3)12-21-14-7-8-15(18-9-14)20-10-13(11-20)19-17(4,5)6;1-16(2,3)13-7-9-18-15(11-13)20-10-8-14(12-20)19-17(4,5)6;1-16(2,3)14-7-8-18-15(13-14)19-9-11-20(12-10-19)17(4,5)6;1-16(2,3)19-12-9-14(10-12)20-15-8-7-13(11-18-15)21-17(4,5)6;1-16(2,3)15-11-13(7-8-18-15)20-14-9-12(10-14)19-17(4,5)6;1-16(2,3)10-8-7-9-15(20)18-11-13-19(14-12-18)17(4,5)6;1-16(2,3)13-19-9-10-21-15-11-14(12-15)20-8-7-18-17(4,5)6;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-15(2,3)12-7-8-17-14(9-12)19-10-13(11-19)18-16(4,5)6;1-15(2,3)12-7-8-14(17-9-12)19-10-13(11-19)18-16(4,5)6;1-15(2,3)7-13-19-14-12-17-8-10-18(11-9-17)16(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6;1-13(2,3)15-11-9-12(10-11)16-7-8-17-14(4,5)6/h7-9,14H,10-13,15H2,1-6H3;7-8,13H,9-12,14H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,13,19H,10-12H2,1-6H3;7,9,11,14,19H,8,10,12H2,1-6H3;7-8,13H,9-12H2,1-6H3;7-8,11-12,14,19H,9-10H2,1-6H3;7-8,11-12,14,19H,9-10H2,1-6H3;7-14H2,1-6H3;14-15,18H,7-13H2,1-6H3;9-12,19H,7-8H2,1-6H3;2*7-9,13,18H,10-11H2,1-6H3;7-14H2,1-6H3;13,16H,7-12H2,1-6H3;7-11H2,1-6H3;11-12,15H,7-10H2,1-6H3 |
| InChIKey | GNIVMTGTWDYMOS-UHFFFAOYSA-N |
| XLogP | 56.84 |
| TPSA | 504.54 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 339 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4744.41 |
| LogP ≤ 5 | 56.84 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 53 |