(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

C270H528N42O13S2 — CID 161007066

IUPAC(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)CCCCN1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1CC2(CCN(CC3CCNCC3)CC2)C1.CC(C)(C)N1CCN(CCS)CC1.CC(C)(C)OCC1CC2CC(CN3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2ncc(OC(C)(C)C)cn2)CC1.CC(C)(C)OCN1CCC(CN2CCNCC2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.CC(C)C.CC(C)C.CC(C)C.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
InChIInChI=1S/C22H42N2O.C21H41N3O.C19H33N3O.C19H38N2O2.C19H38N2O.C18H32N4O2.C18H32N4O.C18H34N4.C17H33N3.2C17H34N2.C15H26N4O.C15H31N3O.C13H28N2O2S.C10H22N2S.3C4H10/c1-21(2,3)24-9-7-23(8-10-24)15-17-11-19-13-18(14-20(19)12-17)16-25-22(4,5)6;1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-17(2,3)23-12-11-21-7-9-22(10-8-21)16-19-13-15(14-20-16)24-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-16(2,3)20-13-17(14-20)6-10-19(11-7-17)12-15-4-8-18-9-5-15;2*1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4;1-15(2,3)19-13-18-8-4-14(5-9-18)12-17-10-6-16-7-11-17;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5;1-10(2,3)12-6-4-11(5-7-12)8-9-13;3*1-4(2)3/h17-20H,7-16H2,1-6H3;18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;9-15H2,1-8H3;13-14H,7-12H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;15,18H,4-14H2,1-3H3;2*14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3;14,16H,4-13H2,1-3H3;12H,6-11H2,1-5H3;13H,4-9H2,1-3H3;3*4H,1-3H3/t;;;;18-,19+;;;;;2*14-,15-;;;;;;;/m.........10......./s1
InChIKeyTWQHHIOYRJKHEF-NEYHEYPCSA-N
MW4635.61 g/mol
LogP46.08
Rot. Bonds58

About (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (PubChem CID 161007066) has the molecular formula C270H528N42O13S2 and a molecular weight of 4635.61 g/mol. Its IUPAC name is (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
PubChem CID161007066
Molecular FormulaC270H528N42O13S2
Molecular Weight4635.61 g/mol
Exact Mass4632.14
IUPAC Name(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)CCCCN1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1CC2(CCN(CC3CCNCC3)CC2)C1.CC(C)(C)N1CCN(CCS)CC1.CC(C)(C)OCC1CC2CC(CN3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2ncc(OC(C)(C)C)cn2)CC1.CC(C)(C)OCN1CCC(CN2CCNCC2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.CC(C)C.CC(C)C.CC(C)C.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
InChIInChI=1S/C22H42N2O.C21H41N3O.C19H33N3O.C19H38N2O2.C19H38N2O.C18H32N4O2.C18H32N4O.C18H34N4.C17H33N3.2C17H34N2.C15H26N4O.C15H31N3O.C13H28N2O2S.C10H22N2S.3C4H10/c1-21(2,3)24-9-7-23(8-10-24)15-17-11-19-13-18(14-20(19)12-17)16-25-22(4,5)6;1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-17(2,3)23-12-11-21-7-9-22(10-8-21)16-19-13-15(14-20-16)24-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-16(2,3)20-13-17(14-20)6-10-19(11-7-17)12-15-4-8-18-9-5-15;2*1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4;1-15(2,3)19-13-18-8-4-14(5-9-18)12-17-10-6-16-7-11-17;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5;1-10(2,3)12-6-4-11(5-7-12)8-9-13;3*1-4(2)3/h17-20H,7-16H2,1-6H3;18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;9-15H2,1-8H3;13-14H,7-12H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;15,18H,4-14H2,1-3H3;2*14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3;14,16H,4-13H2,1-3H3;12H,6-11H2,1-5H3;13H,4-9H2,1-3H3;3*4H,1-3H3/t;;;;18-,19+;;;;;2*14-,15-;;;;;;;/m.........10......./s1
InChIKeyTWQHHIOYRJKHEF-NEYHEYPCSA-N
XLogP46.08
TPSA368.22 Ų
H-Bond Donors3
H-Bond Acceptors56
Rotatable Bonds58
Heavy Atoms327
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004635.61
LogP ≤ 546.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1056

Analyze (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (CID 161007066) is (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is CC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)CCCCN1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1CC2(CCN(CC3CCNCC3)CC2)C1.CC(C)(C)N1CCN(CCS)CC1.CC(C)(C)OCC1CC2CC(CN3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2ncc(OC(C)(C)C)cn2)CC1.CC(C)(C)OCN1CCC(CN2CCNCC2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.CC(C)C.CC(C)C.CC(C)C.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1.
What is the InChIKey of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is TWQHHIOYRJKHEF-NEYHEYPCSA-N. The full InChI is InChI=1S/C22H42N2O.C21H41N3O.C19H33N3O.C19H38N2O2.C19H38N2O.C18H32N4O2.C18H32N4O.C18H34N4.C17H33N3.2C17H34N2.C15H26N4O.C15H31N3O.C13H28N2O2S.C10H22N2S.3C4H10/c1-21(2,3)24-9-7-23(8-10-24)15-17-11-19-13-18(14-20(19)12-17)16-25-22(4,5)6;1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-17(2,3)23-12-11-21-7-9-22(10-8-21)16-19-13-15(14-20-16)24-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-16(2,3)20-13-17(14-20)6-10-19(11-7-17)12-15-4-8-18-9-5-15;2*1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4;1-15(2,3)19-13-18-8-4-14(5-9-18)12-17-10-6-16-7-11-17;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5;1-10(2,3)12-6-4-11(5-7-12)8-9-13;3*1-4(2)3/h17-20H,7-16H2,1-6H3;18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;9-15H2,1-8H3;13-14H,7-12H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;15,18H,4-14H2,1-3H3;2*14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3;14,16H,4-13H2,1-3H3;12H,6-11H2,1-5H3;13H,4-9H2,1-3H3;3*4H,1-3H3/t;;;;18-,19+;;;;;2*14-,15-;;;;;;;/m.........10......./s1.
What are the key properties of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 4635.61 g/mol, XLogP of 46.08, 58 rotatable bonds, 3 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;2-(4-tert-butylpiperazin-1-yl)ethanethiol;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;2-tert-butyl-7-(piperidin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine;tris(2-methylpropane);1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 161007066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).