(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane

C273H574N36O24 — CID 158191457

IUPAC(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane
SMILESCC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCCOCCCOC1CC(OC(C)(C)C)C1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O2.C18H37N3O2.C18H36O4.2C17H37N3O.2C17H34N2O2.C17H36N2O2.C16H35N3O.C16H34N2O2.C16H34N2O.2C15H32N2O.2C14H30N2O.C14H30N2.C12H26N2/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-17(2,3)21-12-8-10-19-9-7-11-20-15-13-16(14-15)22-18(4,5)6;1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)18-8-7-14-21-15-13-19-9-11-20(12-10-19)17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);15-16H,7-14H2,1-6H3;2*18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-15H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;2*13,16H,7-12H2,1-6H3;2*7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3/t;;;;;2*14-,15-;;;;;;;;;;/m.....10........../s1
InChIKeyFZUOBQWFCDYFOL-MTSJJYACSA-N
MW4745.82 g/mol
LogP43.18
Rot. Bonds85

About (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane

(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane (PubChem CID 158191457) has the molecular formula C273H574N36O24 and a molecular weight of 4745.82 g/mol. Its IUPAC name is (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane.

Molecular Properties

Compound Name(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane
PubChem CID158191457
Molecular FormulaC273H574N36O24
Molecular Weight4745.82 g/mol
Exact Mass4742.48
IUPAC Name(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane
SMILESCC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCCOCCCOC1CC(OC(C)(C)C)C1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O2.C18H37N3O2.C18H36O4.2C17H37N3O.2C17H34N2O2.C17H36N2O2.C16H35N3O.C16H34N2O2.C16H34N2O.2C15H32N2O.2C14H30N2O.C14H30N2.C12H26N2/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-17(2,3)21-12-8-10-19-9-7-11-20-15-13-16(14-15)22-18(4,5)6;1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)18-8-7-14-21-15-13-19-9-11-20(12-10-19)17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);15-16H,7-14H2,1-6H3;2*18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-15H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;2*13,16H,7-12H2,1-6H3;2*7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3/t;;;;;2*14-,15-;;;;;;;;;;/m.....10........../s1
InChIKeyFZUOBQWFCDYFOL-MTSJJYACSA-N
XLogP43.18
TPSA407.53 Ų
H-Bond Donors7
H-Bond Acceptors59
Rotatable Bonds85
Heavy Atoms333
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004745.82
LogP ≤ 543.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1059

Analyze (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane with MolForge

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What is the IUPAC name of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane?
The IUPAC name of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane (CID 158191457) is (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane.
What is the SMILES notation for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane?
The canonical SMILES for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane is CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCCOCCCOC1CC(OC(C)(C)C)C1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1.
What is the InChIKey of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane?
The InChIKey is FZUOBQWFCDYFOL-MTSJJYACSA-N. The full InChI is InChI=1S/C20H40N2O2.C18H37N3O2.C18H36O4.2C17H37N3O.2C17H34N2O2.C17H36N2O2.C16H35N3O.C16H34N2O2.C16H34N2O.2C15H32N2O.2C14H30N2O.C14H30N2.C12H26N2/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-17(2,3)21-12-8-10-19-9-7-11-20-15-13-16(14-15)22-18(4,5)6;1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)18-8-7-14-21-15-13-19-9-11-20(12-10-19)17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);15-16H,7-14H2,1-6H3;2*18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-15H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;2*13,16H,7-12H2,1-6H3;2*7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3/t;;;;;2*14-,15-;;;;;;;;;;/m.....10........../s1.
What are the key properties of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane?
(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane has a molecular weight of 4745.82 g/mol, XLogP of 43.18, 85 rotatable bonds, 7 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;1-[(2-methylpropan-2-yl)oxy]-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]cyclobutane is sourced from PubChem (CID 158191457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).