N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine

C170H216N26O3S2 — CID 157122002

IUPACN-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine
SMILESCC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)NC1=CCc2ccccc21.CC(C)(C)NC1=Cc2ccccc2C1.CC(C)(C)NC1=NCc2ccccc21.CC(C)(C)Nc1cc2ccccc2cn1.CC(C)(C)Nc1cc2ccccc2o1.CC(C)(C)Nc1cc2ccccc2s1.CC(C)(C)Nc1ccc2ccccc2n1.CC(C)(C)Nc1cnc2ccccc2c1.CC(C)(C)Nc1cnc2ccccc2n1.CC(C)(C)Nc1nc2ccccc2o1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1ncc2ccccc2n1.CC(C)(C)Nc1noc2ccccc12
InChIInChI=1S/3C13H16N2.2C13H17N.2C12H15N3.2C12H16N2.C12H15NO.C12H15NS.2C11H14N2O.C11H14N2S/c1-13(2,3)15-11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)15-12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)15-12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)14-12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)14-12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)15-11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)15-11-13-8-9-6-4-5-7-10(9)14-11;1-12(2,3)14-11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)14-11-8-9-6-4-5-7-10(9)13-11;2*1-12(2,3)13-11-8-9-6-4-5-7-10(9)14-11;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-11(2,3)12-10-8-6-4-5-7-9(8)14-13-10;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10/h4-9,15H,1-3H3;2*4-9H,1-3H3,(H,14,15);4-8,14H,9H2,1-3H3;4-7,9,14H,8H2,1-3H3;4-8H,1-3H3,(H,14,15);4-8H,1-3H3,(H,13,14,15);2*4-7H,8H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13)
InChIKeyAIBQZRXUPPIUMC-UHFFFAOYSA-N
MW2735.91 g/mol
LogP44.48
Rot. Bonds12

About N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine

N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine (PubChem CID 157122002) has the molecular formula C170H216N26O3S2 and a molecular weight of 2735.91 g/mol. Its IUPAC name is N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine
PubChem CID157122002
Molecular FormulaC170H216N26O3S2
Molecular Weight2735.91 g/mol
Exact Mass2733.70
IUPAC NameN-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine
SMILESCC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)NC1=CCc2ccccc21.CC(C)(C)NC1=Cc2ccccc2C1.CC(C)(C)NC1=NCc2ccccc21.CC(C)(C)Nc1cc2ccccc2cn1.CC(C)(C)Nc1cc2ccccc2o1.CC(C)(C)Nc1cc2ccccc2s1.CC(C)(C)Nc1ccc2ccccc2n1.CC(C)(C)Nc1cnc2ccccc2c1.CC(C)(C)Nc1cnc2ccccc2n1.CC(C)(C)Nc1nc2ccccc2o1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1ncc2ccccc2n1.CC(C)(C)Nc1noc2ccccc12
InChIInChI=1S/3C13H16N2.2C13H17N.2C12H15N3.2C12H16N2.C12H15NO.C12H15NS.2C11H14N2O.C11H14N2S/c1-13(2,3)15-11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)15-12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)15-12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)14-12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)14-12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)15-11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)15-11-13-8-9-6-4-5-7-10(9)14-11;1-12(2,3)14-11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)14-11-8-9-6-4-5-7-10(9)13-11;2*1-12(2,3)13-11-8-9-6-4-5-7-10(9)14-11;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-11(2,3)12-10-8-6-4-5-7-9(8)14-13-10;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10/h4-9,15H,1-3H3;2*4-9H,1-3H3,(H,14,15);4-8,14H,9H2,1-3H3;4-7,9,14H,8H2,1-3H3;4-8H,1-3H3,(H,14,15);4-8H,1-3H3,(H,13,14,15);2*4-7H,8H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13)
InChIKeyAIBQZRXUPPIUMC-UHFFFAOYSA-N
XLogP44.48
TPSA361.46 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002735.91
LogP ≤ 544.48
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene
CID 158056583
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161044231
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
8-[17-([1]Benzofuro[3,2-b]pyridin-8-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-6-[6-[17-[8-[6-[17-([1]benzothiolo[2,3-c]pyridin-6-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzothiolo[2,3-c]pyridin-8-yl]-[1]benzothiolo[2,3-b]pyridin-6-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzothiolo[2,3-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine
CID 139484280
2-[5-(1,3-benzothiazol-2-yl)-7-(1H-indol-2-yl)-2-isoquinolin-1-yl-3-quinazolin-2-yl-8-quinolin-2-ylquinoxalin-6-yl]-1,3-benzoxazole
CID 140983497

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine?
The IUPAC name of N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine (CID 157122002) is N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine.
What is the SMILES notation for N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine?
The canonical SMILES for N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine is CC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)NC1=CCc2ccccc21.CC(C)(C)NC1=Cc2ccccc2C1.CC(C)(C)NC1=NCc2ccccc21.CC(C)(C)Nc1cc2ccccc2cn1.CC(C)(C)Nc1cc2ccccc2o1.CC(C)(C)Nc1cc2ccccc2s1.CC(C)(C)Nc1ccc2ccccc2n1.CC(C)(C)Nc1cnc2ccccc2c1.CC(C)(C)Nc1cnc2ccccc2n1.CC(C)(C)Nc1nc2ccccc2o1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1ncc2ccccc2n1.CC(C)(C)Nc1noc2ccccc12.
What is the InChIKey of N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine?
The InChIKey is AIBQZRXUPPIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16N2.2C13H17N.2C12H15N3.2C12H16N2.C12H15NO.C12H15NS.2C11H14N2O.C11H14N2S/c1-13(2,3)15-11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)15-12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)15-12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)14-12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)14-12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)15-11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)15-11-13-8-9-6-4-5-7-10(9)14-11;1-12(2,3)14-11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)14-11-8-9-6-4-5-7-10(9)13-11;2*1-12(2,3)13-11-8-9-6-4-5-7-10(9)14-11;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-11(2,3)12-10-8-6-4-5-7-9(8)14-13-10;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10/h4-9,15H,1-3H3;2*4-9H,1-3H3,(H,14,15);4-8,14H,9H2,1-3H3;4-7,9,14H,8H2,1-3H3;4-8H,1-3H3,(H,14,15);4-8H,1-3H3,(H,13,14,15);2*4-7H,8H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine?
N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine has a molecular weight of 2735.91 g/mol, XLogP of 44.48, 12 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine is sourced from PubChem (CID 157122002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).