tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline

C216H310N24O7S — CID 159682485

IUPACtert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccc2cnn(C3CCCCC3)c2c1.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2ccc(N3CCOCC3)nc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1N.CN(C)c1cncc(C(C)(C)C)c1.CN(c1cccc(C(C)(C)C)c1)S(C)(=O)=O.CN1C(=O)COc2cccc(C(C)(C)C)c21.CN1CCC(n2ncc3ccc(C(C)(C)C)cc32)CC1.CN1CCOc2cccc(C(C)(C)C)c21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H25N3.C17H22N2O.C17H24N2.C14H16.C13H17NO2.C13H19NO.C13H19N.C13H15N.4C12H16N2.C12H19NO2S.C11H18N2.C10H20.C9H14N2.C9H18O/c1-17(2,3)14-6-5-13-12-18-20(16(13)11-14)15-7-9-19(4)10-8-15;1-17(2,3)14-6-4-5-13-7-8-15(18-16(13)14)19-9-11-20-12-10-19;1-17(2,3)14-10-9-13-12-18-19(16(13)11-14)15-7-5-4-6-8-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)9-6-5-7-10-12(9)14(4)11(15)8-16-10;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)10-7-6-8-11(9-10)13(4)16(5,14)15;1-11(2,3)9-6-10(13(4)5)8-12-7-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)8-4-6-10-7-5-8/h5-6,11-12,15H,7-10H2,1-4H3;4-8H,9-12H2,1-3H3;9-12,15H,4-8H2,1-3H3;4-10H,1-3H3;5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;4-9H,1-3H3;4*5-8H,1-4H3;6-9H,1-5H3;6-8H,1-5H3;9H,4-8H2,1-3H3;4-6H,1-3H3,(H2,10,11);8H,4-7H2,1-3H3
InChIKeyMVJLMJAAYYKFLS-UHFFFAOYSA-N
MW3387.08 g/mol
LogP52.31
Rot. Bonds6

About tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline

tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 159682485) has the molecular formula C216H310N24O7S and a molecular weight of 3387.08 g/mol. Its IUPAC name is tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Nametert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID159682485
Molecular FormulaC216H310N24O7S
Molecular Weight3387.08 g/mol
Exact Mass3384.44
IUPAC Nametert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccc2cnn(C3CCCCC3)c2c1.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2ccc(N3CCOCC3)nc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1N.CN(C)c1cncc(C(C)(C)C)c1.CN(c1cccc(C(C)(C)C)c1)S(C)(=O)=O.CN1C(=O)COc2cccc(C(C)(C)C)c21.CN1CCC(n2ncc3ccc(C(C)(C)C)cc32)CC1.CN1CCOc2cccc(C(C)(C)C)c21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H25N3.C17H22N2O.C17H24N2.C14H16.C13H17NO2.C13H19NO.C13H19N.C13H15N.4C12H16N2.C12H19NO2S.C11H18N2.C10H20.C9H14N2.C9H18O/c1-17(2,3)14-6-5-13-12-18-20(16(13)11-14)15-7-9-19(4)10-8-15;1-17(2,3)14-6-4-5-13-7-8-15(18-16(13)14)19-9-11-20-12-10-19;1-17(2,3)14-10-9-13-12-18-19(16(13)11-14)15-7-5-4-6-8-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)9-6-5-7-10-12(9)14(4)11(15)8-16-10;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)10-7-6-8-11(9-10)13(4)16(5,14)15;1-11(2,3)9-6-10(13(4)5)8-12-7-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)8-4-6-10-7-5-8/h5-6,11-12,15H,7-10H2,1-4H3;4-8H,9-12H2,1-3H3;9-12,15H,4-8H2,1-3H3;4-10H,1-3H3;5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;4-9H,1-3H3;4*5-8H,1-4H3;6-9H,1-5H3;6-8H,1-5H3;9H,4-8H2,1-3H3;4-6H,1-3H3,(H2,10,11);8H,4-7H2,1-3H3
InChIKeyMVJLMJAAYYKFLS-UHFFFAOYSA-N
XLogP52.31
TPSA304.10 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds6
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003387.08
LogP ≤ 552.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline 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-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)benzimidazol-2-one;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;7-(4-propan-2-yl-2-pyridinyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
CID 161895978
4-[(4-pyrazol-1-ylphenyl)methyl]-7-[7-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]-1H-indol-3-yl]-N-(1H-pyrrolo[2,3-c]pyridin-7-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 123738528
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 157061367
3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one
CID 157131307
1-(5-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;8-tert-butyl-N,N-dimethylquinolin-2-amine;8-tert-butyl-2-methoxyquinoline;5-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinoline;8-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-2-methylisoindole;6-tert-butyl-1-(1-methylpyrrolidin-3-yl)indazole;5-tert-butyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-1-pyrrolidin-3-ylindazole;4-[(8-tert-butylquinolin-7-yl)methyl]morpholine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 157171745
1-[3-(1H-benzimidazol-4-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[[4-(3-cyclobutylbenzimidazol-5-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(2-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindol-6-yl)-2-pyridinyl]amino]propan-2-ol)
CID 157267917
5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one
CID 157289707
bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
CID 157355895
1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 157378330
6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butyl-2-methylidene-1H-quinoxaline;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157390973
6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 157401764
CID 157443510
CID 157443510

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 159682485) is tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccc2cnn(C3CCCCC3)c2c1.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2ccc(N3CCOCC3)nc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccnc1N.CN(C)c1cncc(C(C)(C)C)c1.CN(c1cccc(C(C)(C)C)c1)S(C)(=O)=O.CN1C(=O)COc2cccc(C(C)(C)C)c21.CN1CCC(n2ncc3ccc(C(C)(C)C)cc32)CC1.CN1CCOc2cccc(C(C)(C)C)c21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is MVJLMJAAYYKFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.C17H22N2O.C17H24N2.C14H16.C13H17NO2.C13H19NO.C13H19N.C13H15N.4C12H16N2.C12H19NO2S.C11H18N2.C10H20.C9H14N2.C9H18O/c1-17(2,3)14-6-5-13-12-18-20(16(13)11-14)15-7-9-19(4)10-8-15;1-17(2,3)14-6-4-5-13-7-8-15(18-16(13)14)19-9-11-20-12-10-19;1-17(2,3)14-10-9-13-12-18-19(16(13)11-14)15-7-5-4-6-8-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)9-6-5-7-10-12(9)14(4)11(15)8-16-10;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)10-7-6-8-11(9-10)13(4)16(5,14)15;1-11(2,3)9-6-10(13(4)5)8-12-7-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)8-4-6-10-7-5-8/h5-6,11-12,15H,7-10H2,1-4H3;4-8H,9-12H2,1-3H3;9-12,15H,4-8H2,1-3H3;4-10H,1-3H3;5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;4-9H,1-3H3;4*5-8H,1-4H3;6-9H,1-5H3;6-8H,1-5H3;9H,4-8H2,1-3H3;4-6H,1-3H3,(H2,10,11);8H,4-7H2,1-3H3.
What are the key properties of tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3387.08 g/mol, XLogP of 52.31, 6 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159682485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).