2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline

C273H495F3N46O20S — CID 159753077

IUPAC2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline
SMILESCC(C)(C)C1CC2C(N)C2C1.CC(C)(C)N1CC(C(N)=O)C1.CC(C)(C)N1CC(N)C2(CC2)C1.CC(C)(C)N1CC(N2CCCC2)C1.CC(C)(C)N1CC(N2CCCCC2)C1.CC(C)(C)N1CC(N2CCNCC2)C1.CC(C)(C)N1CC(N2CCOCC2)C1.CC(C)(C)N1CC(Oc2ccc(C(F)(F)F)cc2)C1.CC(C)(C)N1CC(Oc2cccnc2)C1.CC(C)(C)N1CC2C(C1)C2N=C(N)N.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CCC(C(O)c2cccs2)CC1.CC(C)(C)N1CC[C@H](O)[C@H]1CO.CC(C)(C)OC(=O)N1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)OC(=O)NC1C2CC(C(C)(C)C)CC21.CC(C)(C)Oc1ccc2nccnc2c1.CC(C)(C)Oc1cnc2ccoc2c1.CC1(CN)CN(C(C)(C)C)C1.CC1(N)CN(C(C)(C)C)C1.CC1(NC(=O)OC(C)(C)C)CN(C(C)(C)C)C1.CN1CCN(C2CCN(C(C)(C)C)C2)CC1.COC[C@@H]1CCCN1C(C)(C)C.COc1ccc(OC2CN(C(C)(C)C)C2)cc1.Cn1ncc2cc(OC(C)(C)C)cnc21
InChIInChI=1S/C16H31N3O2.C15H27NO2.C14H18F3NO.C14H21NO2.C14H23NOS.C13H27N3.C13H26N2O2.C12H14N2O.C12H18N2O.C12H24N2.C11H15N3O.C11H23N3.C11H22N2O.C11H22N2.C11H13NO2.C10H20N4.C10H20N2.C10H21NO.C10H19N.C9H18N2.C9H20N2.C9H19NO2.C8H16N2O.C8H18N2/c1-15(2,3)19-11-13(12-19)17-7-9-18(10-8-17)14(20)21-16(4,5)6;1-14(2,3)9-7-10-11(8-9)12(10)16-13(17)18-15(4,5)6;1-13(2,3)18-8-12(9-18)19-11-6-4-10(5-7-11)14(15,16)17;1-14(2,3)15-9-13(10-15)17-12-7-5-11(16-4)6-8-12;1-14(2,3)15-8-6-11(7-9-15)13(16)12-5-4-10-17-12;1-13(2,3)16-6-5-12(11-16)15-9-7-14(4)8-10-15;1-11(2,3)15-8-13(7,9-15)14-10(16)17-12(4,5)6;1-12(2,3)15-9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)14-8-11(9-14)15-10-5-4-6-13-7-10;1-12(2,3)14-9-11(10-14)13-7-5-4-6-8-13;1-11(2,3)15-9-5-8-6-13-14(4)10(8)12-7-9;1-11(2,3)14-8-10(9-14)13-6-4-12-5-7-13;1-11(2,3)13-8-10(9-13)12-4-6-14-7-5-12;1-11(2,3)13-8-10(9-13)12-6-4-5-7-12;1-11(2,3)14-8-6-10-9(12-7-8)4-5-13-10;1-10(2,3)14-4-6-7(5-14)8(6)13-9(11)12;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-10(2,3)11-7-5-6-9(11)8-12-4;1-10(2,3)6-4-7-8(5-6)9(7)11;1-9(2,3)11-6-7-4-8(11)5-10-7;1-8(2,3)11-6-9(4,5-10)7-11;1-9(2,3)10-5-4-8(12)7(10)6-11;1-8(2,3)10-4-6(5-10)7(9)11;1-7(2,3)10-5-8(4,9)6-10/h13H,7-12H2,1-6H3;9-12H,7-8H2,1-6H3,(H,16,17);4-7,12H,8-9H2,1-3H3;5-8,13H,9-10H2,1-4H3;4-5,10-11,13,16H,6-9H2,1-3H3;12H,5-11H2,1-4H3;8-9H2,1-7H3,(H,14,16);4-8H,1-3H3;4-7,11H,8-9H2,1-3H3;11H,4-10H2,1-3H3;5-7H,1-4H3;10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3,(H4,11,12,13);8H,4-7,11H2,1-3H3;9H,5-8H2,1-4H3;6-9H,4-5,11H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-7,10H2,1-4H3;7-8,11-12H,4-6H2,1-3H3;6H,4-5H2,1-3H3,(H2,9,11);5-6,9H2,1-4H3/t;;;;;;;;;;;;;;;;;9-;;;;7-,8+;;/m.................0...1../s1
InChIKeyNDWZLWDHQJRPPW-ADKDWZTLSA-N
MW4831.33 g/mol
LogP41.34
Rot. Bonds26

About 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline

2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline (PubChem CID 159753077) has the molecular formula C273H495F3N46O20S and a molecular weight of 4831.33 g/mol. Its IUPAC name is 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline.

Molecular Properties

Compound Name2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline
PubChem CID159753077
Molecular FormulaC273H495F3N46O20S
Molecular Weight4831.33 g/mol
Exact Mass4827.88
IUPAC Name2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline
SMILESCC(C)(C)C1CC2C(N)C2C1.CC(C)(C)N1CC(C(N)=O)C1.CC(C)(C)N1CC(N)C2(CC2)C1.CC(C)(C)N1CC(N2CCCC2)C1.CC(C)(C)N1CC(N2CCCCC2)C1.CC(C)(C)N1CC(N2CCNCC2)C1.CC(C)(C)N1CC(N2CCOCC2)C1.CC(C)(C)N1CC(Oc2ccc(C(F)(F)F)cc2)C1.CC(C)(C)N1CC(Oc2cccnc2)C1.CC(C)(C)N1CC2C(C1)C2N=C(N)N.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CCC(C(O)c2cccs2)CC1.CC(C)(C)N1CC[C@H](O)[C@H]1CO.CC(C)(C)OC(=O)N1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)OC(=O)NC1C2CC(C(C)(C)C)CC21.CC(C)(C)Oc1ccc2nccnc2c1.CC(C)(C)Oc1cnc2ccoc2c1.CC1(CN)CN(C(C)(C)C)C1.CC1(N)CN(C(C)(C)C)C1.CC1(NC(=O)OC(C)(C)C)CN(C(C)(C)C)C1.CN1CCN(C2CCN(C(C)(C)C)C2)CC1.COC[C@@H]1CCCN1C(C)(C)C.COc1ccc(OC2CN(C(C)(C)C)C2)cc1.Cn1ncc2cc(OC(C)(C)C)cnc21
InChIInChI=1S/C16H31N3O2.C15H27NO2.C14H18F3NO.C14H21NO2.C14H23NOS.C13H27N3.C13H26N2O2.C12H14N2O.C12H18N2O.C12H24N2.C11H15N3O.C11H23N3.C11H22N2O.C11H22N2.C11H13NO2.C10H20N4.C10H20N2.C10H21NO.C10H19N.C9H18N2.C9H20N2.C9H19NO2.C8H16N2O.C8H18N2/c1-15(2,3)19-11-13(12-19)17-7-9-18(10-8-17)14(20)21-16(4,5)6;1-14(2,3)9-7-10-11(8-9)12(10)16-13(17)18-15(4,5)6;1-13(2,3)18-8-12(9-18)19-11-6-4-10(5-7-11)14(15,16)17;1-14(2,3)15-9-13(10-15)17-12-7-5-11(16-4)6-8-12;1-14(2,3)15-8-6-11(7-9-15)13(16)12-5-4-10-17-12;1-13(2,3)16-6-5-12(11-16)15-9-7-14(4)8-10-15;1-11(2,3)15-8-13(7,9-15)14-10(16)17-12(4,5)6;1-12(2,3)15-9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)14-8-11(9-14)15-10-5-4-6-13-7-10;1-12(2,3)14-9-11(10-14)13-7-5-4-6-8-13;1-11(2,3)15-9-5-8-6-13-14(4)10(8)12-7-9;1-11(2,3)14-8-10(9-14)13-6-4-12-5-7-13;1-11(2,3)13-8-10(9-13)12-4-6-14-7-5-12;1-11(2,3)13-8-10(9-13)12-6-4-5-7-12;1-11(2,3)14-8-6-10-9(12-7-8)4-5-13-10;1-10(2,3)14-4-6-7(5-14)8(6)13-9(11)12;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-10(2,3)11-7-5-6-9(11)8-12-4;1-10(2,3)6-4-7-8(5-6)9(7)11;1-9(2,3)11-6-7-4-8(11)5-10-7;1-8(2,3)11-6-9(4,5-10)7-11;1-9(2,3)10-5-4-8(12)7(10)6-11;1-8(2,3)10-4-6(5-10)7(9)11;1-7(2,3)10-5-8(4,9)6-10/h13H,7-12H2,1-6H3;9-12H,7-8H2,1-6H3,(H,16,17);4-7,12H,8-9H2,1-3H3;5-8,13H,9-10H2,1-4H3;4-5,10-11,13,16H,6-9H2,1-3H3;12H,5-11H2,1-4H3;8-9H2,1-7H3,(H,14,16);4-8H,1-3H3;4-7,11H,8-9H2,1-3H3;11H,4-10H2,1-3H3;5-7H,1-4H3;10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3,(H4,11,12,13);8H,4-7,11H2,1-3H3;9H,5-8H2,1-4H3;6-9H,4-5,11H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-7,10H2,1-4H3;7-8,11-12H,4-6H2,1-3H3;6H,4-5H2,1-3H3,(H2,9,11);5-6,9H2,1-4H3/t;;;;;;;;;;;;;;;;;9-;;;;7-,8+;;/m.................0...1../s1
InChIKeyNDWZLWDHQJRPPW-ADKDWZTLSA-N
XLogP41.34
TPSA665.24 Ų
H-Bond Donors14
H-Bond Acceptors61
Rotatable Bonds26
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004831.33
LogP ≤ 541.34
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1061

Analyze 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline?
The IUPAC name of 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline (CID 159753077) is 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline.
What is the SMILES notation for 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline?
The canonical SMILES for 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline is CC(C)(C)C1CC2C(N)C2C1.CC(C)(C)N1CC(C(N)=O)C1.CC(C)(C)N1CC(N)C2(CC2)C1.CC(C)(C)N1CC(N2CCCC2)C1.CC(C)(C)N1CC(N2CCCCC2)C1.CC(C)(C)N1CC(N2CCNCC2)C1.CC(C)(C)N1CC(N2CCOCC2)C1.CC(C)(C)N1CC(Oc2ccc(C(F)(F)F)cc2)C1.CC(C)(C)N1CC(Oc2cccnc2)C1.CC(C)(C)N1CC2C(C1)C2N=C(N)N.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CCC(C(O)c2cccs2)CC1.CC(C)(C)N1CC[C@H](O)[C@H]1CO.CC(C)(C)OC(=O)N1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)OC(=O)NC1C2CC(C(C)(C)C)CC21.CC(C)(C)Oc1ccc2nccnc2c1.CC(C)(C)Oc1cnc2ccoc2c1.CC1(CN)CN(C(C)(C)C)C1.CC1(N)CN(C(C)(C)C)C1.CC1(NC(=O)OC(C)(C)C)CN(C(C)(C)C)C1.CN1CCN(C2CCN(C(C)(C)C)C2)CC1.COC[C@@H]1CCCN1C(C)(C)C.COc1ccc(OC2CN(C(C)(C)C)C2)cc1.Cn1ncc2cc(OC(C)(C)C)cnc21.
What is the InChIKey of 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline?
The InChIKey is NDWZLWDHQJRPPW-ADKDWZTLSA-N. The full InChI is InChI=1S/C16H31N3O2.C15H27NO2.C14H18F3NO.C14H21NO2.C14H23NOS.C13H27N3.C13H26N2O2.C12H14N2O.C12H18N2O.C12H24N2.C11H15N3O.C11H23N3.C11H22N2O.C11H22N2.C11H13NO2.C10H20N4.C10H20N2.C10H21NO.C10H19N.C9H18N2.C9H20N2.C9H19NO2.C8H16N2O.C8H18N2/c1-15(2,3)19-11-13(12-19)17-7-9-18(10-8-17)14(20)21-16(4,5)6;1-14(2,3)9-7-10-11(8-9)12(10)16-13(17)18-15(4,5)6;1-13(2,3)18-8-12(9-18)19-11-6-4-10(5-7-11)14(15,16)17;1-14(2,3)15-9-13(10-15)17-12-7-5-11(16-4)6-8-12;1-14(2,3)15-8-6-11(7-9-15)13(16)12-5-4-10-17-12;1-13(2,3)16-6-5-12(11-16)15-9-7-14(4)8-10-15;1-11(2,3)15-8-13(7,9-15)14-10(16)17-12(4,5)6;1-12(2,3)15-9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)14-8-11(9-14)15-10-5-4-6-13-7-10;1-12(2,3)14-9-11(10-14)13-7-5-4-6-8-13;1-11(2,3)15-9-5-8-6-13-14(4)10(8)12-7-9;1-11(2,3)14-8-10(9-14)13-6-4-12-5-7-13;1-11(2,3)13-8-10(9-13)12-4-6-14-7-5-12;1-11(2,3)13-8-10(9-13)12-6-4-5-7-12;1-11(2,3)14-8-6-10-9(12-7-8)4-5-13-10;1-10(2,3)14-4-6-7(5-14)8(6)13-9(11)12;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-10(2,3)11-7-5-6-9(11)8-12-4;1-10(2,3)6-4-7-8(5-6)9(7)11;1-9(2,3)11-6-7-4-8(11)5-10-7;1-8(2,3)11-6-9(4,5-10)7-11;1-9(2,3)10-5-4-8(12)7(10)6-11;1-8(2,3)10-4-6(5-10)7(9)11;1-7(2,3)10-5-8(4,9)6-10/h13H,7-12H2,1-6H3;9-12H,7-8H2,1-6H3,(H,16,17);4-7,12H,8-9H2,1-3H3;5-8,13H,9-10H2,1-4H3;4-5,10-11,13,16H,6-9H2,1-3H3;12H,5-11H2,1-4H3;8-9H2,1-7H3,(H,14,16);4-8H,1-3H3;4-7,11H,8-9H2,1-3H3;11H,4-10H2,1-3H3;5-7H,1-4H3;10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3,(H4,11,12,13);8H,4-7,11H2,1-3H3;9H,5-8H2,1-4H3;6-9H,4-5,11H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-7,10H2,1-4H3;7-8,11-12H,4-6H2,1-3H3;6H,4-5H2,1-3H3,(H2,9,11);5-6,9H2,1-4H3/t;;;;;;;;;;;;;;;;;9-;;;;7-,8+;;/m.................0...1../s1.
What are the key properties of 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline?
2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline has a molecular weight of 4831.33 g/mol, XLogP of 41.34, 26 rotatable bonds, 14 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)guanidine;5-tert-butyl-5-azaspiro[2.4]heptan-7-amine;1-tert-butylazetidine-3-carboxamide;4-(1-tert-butylazetidin-3-yl)morpholine;3-(1-tert-butylazetidin-3-yl)oxypyridine;1-(1-tert-butylazetidin-3-yl)piperazine;1-(1-tert-butylazetidin-3-yl)piperidine;1-(1-tert-butylazetidin-3-yl)pyrrolidine;3-tert-butylbicyclo[3.1.0]hexan-6-amine;tert-butyl 4-(1-tert-butylazetidin-3-yl)piperazine-1-carboxylate;tert-butyl N-(3-tert-butyl-6-bicyclo[3.1.0]hexanyl)carbamate;tert-butyl N-(1-tert-butyl-3-methylazetidin-3-yl)carbamate;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,3S)-1-tert-butyl-2-(hydroxymethyl)pyrrolidin-3-ol;(2S)-1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-3-(4-methoxyphenoxy)azetidine;1-tert-butyl-3-methylazetidin-3-amine;(1-tert-butyl-3-methylazetidin-3-yl)methanamine;(1-tert-butylpiperidin-4-yl)-thiophen-2-ylmethanol;1-(1-tert-butylpyrrolidin-3-yl)-4-methylpiperazine;1-tert-butyl-3-[4-(trifluoromethyl)phenoxy]azetidine;1-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazolo[3,4-b]pyridine;6-[(2-methylpropan-2-yl)oxy]furo[3,2-b]pyridine;6-[(2-methylpropan-2-yl)oxy]quinoxaline is sourced from PubChem (CID 159753077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).