About tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene)
tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene) (PubChem CID 159608746) has the molecular formula C253H387F8N28O23S11-
and a molecular weight of 4693.77 g/mol. Its IUPAC name is tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene).
Frequently Asked Questions
What is the IUPAC name of tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene)?
The IUPAC name of tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene) (CID 159608746) is tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene).
What is the SMILES notation for tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene)?
The canonical SMILES for tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene) is C.C=C(OC)N1CC(C)C1.CC1C2CN(C(=O)OC(C)(C)C)CC12.CC1CCC(F)(F)CC1.CC1CCCC1.CC1CCCCC1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CN(C(=O)OC(C)(C)C)C1.CC1CN(S(C)(=O)=O)C1.CN1CCCC1=O.CN1CCCS1(=O)=O.COC.COC1(C)CC1.CS(=O)[O-].CSC.C[C@H]1CCCCO1.C[C@H]1CCCN1C(=O)OC(C)(C)C.C[C@H]1CCCO1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1ccc2ncc(C)n2c1.Cc1cccc(OC(F)(F)F)c1.Cc1cccc2ncc(C)n12.Cc1ccccc1.Cc1ccccn1.Cc1ccncc1.Cc1ccnn1C.Cc1ccsc1C.Cc1cnc(C(C)C)s1.Cc1cnc(C)s1.Cc1cnc2ccccn12.Cc1cnccc1C(F)(F)F.Cc1cncnc1.Cc1cnco1.Cc1csc(C(C)C)n1.Cc1nc(C)c(C)s1.Cc1nc2ccccc2s1.Cn1ccccc1=O.
What is the InChIKey of tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene)?
The InChIKey is PQAAEGJJYAEMIO-ZXSTXMHDSA-M. The full InChI is InChI=1S/C11H19NO2.C11H21NO2.C10H19NO2.2C9H10N2.C9H17NO2.C8H7F3O.C8H8N2.C8H7NS.3C8H10.C7H6F3N.C7H12F2.C7H13NO.2C7H11NS.C7H14.C7H8.C6H7NO.C6H9NS.2C6H7N.C6H12O.2C6H8S.C6H12.C5H6N2.C5H8N2.C5H11NO2S.C5H9NO.C5H7NS.2C5H10O.C4H9NO2S.C4H5NO.C2H6O.C2H6S.CH4O2S.CH4/c1-7-8-5-12(6-9(7)8)10(13)14-11(2,3)4;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-8-6-5-7-11(8)9(12)13-10(2,3)4;1-7-3-4-9-10-5-8(2)11(9)6-7;1-7-4-3-5-9-10-6-8(2)11(7)9;1-7-5-10(6-7)8(11)12-9(2,3)4;1-6-3-2-4-7(5-6)12-8(9,10)11;1-7-6-9-8-4-2-3-5-10(7)8;1-6-9-7-4-2-3-5-8(7)10-6;3*1-7-3-5-8(2)6-4-7;1-5-4-11-3-2-6(5)7(8,9)10;1-6-2-4-7(8,9)5-3-6;1-6-4-8(5-6)7(2)9-3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;2*1-7-5-3-2-4-6-7;1-7-5-3-2-4-6(7)8;1-4-5(2)8-6(3)7-4;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-7-6;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-3-4-6-7(5)2;1-5-3-6(4-5)9(2,7)8;1-6-4-2-3-5(6)7;1-4-3-6-5(2)7-4;1-5(6-2)3-4-5;1-5-3-2-4-6-5;1-5-3-2-4-8(5,6)7;1-4-2-5-3-6-4;2*1-3-2;1-4(2)3;/h7-9H,5-6H2,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*3-6H,1-2H3;7H,5-6H2,1-4H3;2-5H,1H3;2-6H,1H3;2-5H,1H3;3*3-6H,1-2H3;2-4H,1H3;6H,2-5H2,1H3;6H,2,4-5H2,1,3H3;2*4-5H,1-3H3;7H,2-6H2,1H3;2-6H,1H3;2-5H,1H3;1-3H3;2*2-5H,1H3;6H,2-5H2,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;2-4H,1H3;3-4H,1-2H3;5H,3-4H2,1-2H3;2-4H2,1H3;3H,1-2H3;3-4H2,1-2H3;5H,2-4H2,1H3;2-4H2,1H3;2-3H,1H3;2*1-2H3;1H3,(H,2,3);1H4/p-1/t;;8-;;;;;;;;;;;;;;;;;;;;;6-;;;;;;;;;;5-;;;;;;/m..0....................0.........0....../s1.
What are the key properties of tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene)?
tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene) has a molecular weight of 4693.77 g/mol, XLogP of 64.56, 7 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;1,1-difluoro-4-methylcyclohexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methane;methanesulfinate;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;1-methoxy-1-methylcyclopropane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;3-methylimidazo[1,2-a]pyridine;3-methyl-1-methylsulfonylazetidine;(2S)-2-methyloxane;5-methyl-1,3-oxazole;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrolidin-2-one;methylsulfanylmethane;2-methyl-1,2-thiazolidine 1,1-dioxide;1-methyl-3-(trifluoromethoxy)benzene;3-methyl-4-(trifluoromethyl)pyridine;toluene;2,4,5-trimethyl-1,3-thiazole;tris(1,4-xylene) is sourced from PubChem (CID 159608746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).