6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine

C175H345FN22O14 — CID 161128765

IUPAC6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CC(C)(O)C1.CC(C)C1CC2(CCOC2)C1.CC(C)COC1(C)CCOCC1.CC(C)COC1CCOCC1F.CC(C)C[C@H]1CCOC1.CC(C)NC1CC1c1cnn(C)c1.CC(C)NC1COC1.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CCOC2.COC(=O)N1CC(NC(C)C)C1.COC1CC(C(C)C)C1.COC1CC(NC(C)C)C1.Cc1cc(NC(C)C)ccn1.Cn1ncc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C12H20N2.C11H15NO.C10H17N3.C10H15NO.C10H20O2.C10H18O.C9H17FO2.C9H14N2.C8H16N2O2.3C8H12N2.C8H17NO.3C8H16O.C7H11N3.C6H13NO.17CH4/c1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-8(2)9-6-10-4-3-5-11(13)12(10)7-9;1-7(2)12-10-4-9(10)8-5-11-13(3)6-8;1-8(2)9-5-10-7-12-4-3-11(10)6-9;1-9(2)8-12-10(3)4-6-11-7-5-10;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)5-12-9-3-4-11-6-8(9)10;1-7(2)11-9-4-5-10-8(3)6-9;1-6(2)9-7-4-10(5-7)8(11)12-3;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-7-4-8(5-7)10-3;1-6(2)7-4-8(5-7)9-3;1-6(2)7-4-8(3,9)5-7;1-7(2)5-8-3-4-9-6-8;1-6(2)10-7-8-4-3-5-9-7;1-5(2)7-6-3-8-4-6;;;;;;;;;;;;;;;;;/h8,10H,5-7H2,1-4H3;6-8H,3-5H2,1-2H3;5-7,9-10,12H,4H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;4-7H,1-3H3,(H,10,11);6-7,9H,4-5H2,1-3H3;3-7H,1-2H3,(H,9,10);3-7,10H,1-2H3;3-7H,1-2H3,(H,9,10);6-9H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;6-7,9H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3,(H,8,9,10);5-7H,3-4H2,1-2H3;17*1H4/t;;;;;;;;;;;;;;;8-;;;;;;;;;;;;;;;;;;;/m...............1.................../s1
InChIKeyULXBRCASWDFDKA-KCCRYWNOSA-N
MW3000.82 g/mol
LogP42.99
Rot. Bonds34

About 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine

6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine (PubChem CID 161128765) has the molecular formula C175H345FN22O14 and a molecular weight of 3000.82 g/mol. Its IUPAC name is 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine
PubChem CID161128765
Molecular FormulaC175H345FN22O14
Molecular Weight3000.82 g/mol
Exact Mass2998.69
IUPAC Name6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CC(C)(O)C1.CC(C)C1CC2(CCOC2)C1.CC(C)COC1(C)CCOCC1.CC(C)COC1CCOCC1F.CC(C)C[C@H]1CCOC1.CC(C)NC1CC1c1cnn(C)c1.CC(C)NC1COC1.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CCOC2.COC(=O)N1CC(NC(C)C)C1.COC1CC(C(C)C)C1.COC1CC(NC(C)C)C1.Cc1cc(NC(C)C)ccn1.Cn1ncc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C12H20N2.C11H15NO.C10H17N3.C10H15NO.C10H20O2.C10H18O.C9H17FO2.C9H14N2.C8H16N2O2.3C8H12N2.C8H17NO.3C8H16O.C7H11N3.C6H13NO.17CH4/c1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-8(2)9-6-10-4-3-5-11(13)12(10)7-9;1-7(2)12-10-4-9(10)8-5-11-13(3)6-8;1-8(2)9-5-10-7-12-4-3-11(10)6-9;1-9(2)8-12-10(3)4-6-11-7-5-10;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)5-12-9-3-4-11-6-8(9)10;1-7(2)11-9-4-5-10-8(3)6-9;1-6(2)9-7-4-10(5-7)8(11)12-3;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-7-4-8(5-7)10-3;1-6(2)7-4-8(5-7)9-3;1-6(2)7-4-8(3,9)5-7;1-7(2)5-8-3-4-9-6-8;1-6(2)10-7-8-4-3-5-9-7;1-5(2)7-6-3-8-4-6;;;;;;;;;;;;;;;;;/h8,10H,5-7H2,1-4H3;6-8H,3-5H2,1-2H3;5-7,9-10,12H,4H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;4-7H,1-3H3,(H,10,11);6-7,9H,4-5H2,1-3H3;3-7H,1-2H3,(H,9,10);3-7,10H,1-2H3;3-7H,1-2H3,(H,9,10);6-9H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;6-7,9H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3,(H,8,9,10);5-7H,3-4H2,1-2H3;17*1H4/t;;;;;;;;;;;;;;;8-;;;;;;;;;;;;;;;;;;;/m...............1.................../s1
InChIKeyULXBRCASWDFDKA-KCCRYWNOSA-N
XLogP42.99
TPSA390.25 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003000.82
LogP ≤ 542.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-3-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-[(2R,3R)-2-[6-[2-(methoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-2-methyl-3-pyridinyl]-4-oxo-5-azaspiro[2.4]heptan-5-yl]propanamide
CID 177907325
(2R)-3-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-[(2R,3R)-2-[6-[2-(methoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-2-methyl-3-pyridinyl]-4-oxo-5-azaspiro[2.4]heptan-5-yl]propanamide
CID 178066726
3-tert-butyl-3,4-dihydro-1H-isochromene;6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;2,3-dimethylbutylbenzene;3-fluoro-4-(2-methylpropoxy)oxane;4-methyl-4-(2-methylpropoxy)oxane;2-methyl-N-propan-2-ylpyridin-4-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;3-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6-propan-2-yl-2,3-dihydro-1H-pyrrolizine;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-propan-2-yl-6-oxaspiro[3.4]octane;(3S)-N-propan-2-yloxolan-3-amine;3-propan-2-ylpyrazolo[1,5-a]pyridine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-3H-pyrrolizine
CID 157431646
3-tert-butyl-3,4-dihydro-1H-isochromene;(4-tert-butyl-2-methyliminocyclohexylidene)methanamine;2,3-dimethylbutylbenzene;3-fluoro-4-(2-methylpropoxy)oxane;4-methyl-4-(2-methylpropoxy)oxane;2-methyl-N-propan-2-ylpyridin-4-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;3-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6-propan-2-yl-2,3-dihydro-1H-pyrrolizine;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-propan-2-yl-6-oxaspiro[3.4]octane;(3S)-N-propan-2-yloxolan-3-amine;3-propan-2-ylpyrazolo[1,5-a]pyridine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-3H-pyrrolizine
CID 158287561
3-tert-butyl-3,4-dihydro-1H-isochromene;6-tert-butyl-1-methyl-3a,4,5,6,7,7a-hexahydroindazole;2,3-dimethylbutylbenzene;2-methyl-N-propan-2-ylpyridin-4-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;3-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6-propan-2-yl-2,3-dihydro-1H-pyrrolizine;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-3H-pyrrolizine
CID 159029116
3-tert-butyl-3,4-dihydro-1H-isochromene;6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;2,3-dimethylbutylbenzene;3-fluoro-4-(2-methylpropoxy)oxane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;2-methyl-N-propan-2-ylpyridin-4-amine;1-[3-(propan-2-ylamino)cyclobutyl]propan-1-one;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;3-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;(3S)-N-propan-2-yloxolan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine
CID 160760826
3-tert-butyl-3,4-dihydro-1H-isochromene;6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;2,3-dimethylbutylbenzene;2-methyl-N-propan-2-ylpyridin-4-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;3-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6-propan-2-yl-2,3-dihydro-1H-pyrrolizine;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-3H-pyrrolizine
CID 167612507
(4-tert-butyl-2-methyliminocyclohexylidene)methanamine;3-fluoro-4-(2-methylpropoxy)oxane;1-(1-methoxyethenyl)-N-propan-2-ylazetidin-3-amine;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;3-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine
CID 167667572

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine (CID 161128765) is 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CC(C)(O)C1.CC(C)C1CC2(CCOC2)C1.CC(C)COC1(C)CCOCC1.CC(C)COC1CCOCC1F.CC(C)C[C@H]1CCOC1.CC(C)NC1CC1c1cnn(C)c1.CC(C)NC1COC1.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CCOC2.COC(=O)N1CC(NC(C)C)C1.COC1CC(C(C)C)C1.COC1CC(NC(C)C)C1.Cc1cc(NC(C)C)ccn1.Cn1ncc2c1CC(C(C)(C)C)CC2.
What is the InChIKey of 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine?
The InChIKey is ULXBRCASWDFDKA-KCCRYWNOSA-N. The full InChI is InChI=1S/C12H20N2.C11H15NO.C10H17N3.C10H15NO.C10H20O2.C10H18O.C9H17FO2.C9H14N2.C8H16N2O2.3C8H12N2.C8H17NO.3C8H16O.C7H11N3.C6H13NO.17CH4/c1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-8(2)9-6-10-4-3-5-11(13)12(10)7-9;1-7(2)12-10-4-9(10)8-5-11-13(3)6-8;1-8(2)9-5-10-7-12-4-3-11(10)6-9;1-9(2)8-12-10(3)4-6-11-7-5-10;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)5-12-9-3-4-11-6-8(9)10;1-7(2)11-9-4-5-10-8(3)6-9;1-6(2)9-7-4-10(5-7)8(11)12-3;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-7-4-8(5-7)10-3;1-6(2)7-4-8(5-7)9-3;1-6(2)7-4-8(3,9)5-7;1-7(2)5-8-3-4-9-6-8;1-6(2)10-7-8-4-3-5-9-7;1-5(2)7-6-3-8-4-6;;;;;;;;;;;;;;;;;/h8,10H,5-7H2,1-4H3;6-8H,3-5H2,1-2H3;5-7,9-10,12H,4H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;4-7H,1-3H3,(H,10,11);6-7,9H,4-5H2,1-3H3;3-7H,1-2H3,(H,9,10);3-7,10H,1-2H3;3-7H,1-2H3,(H,9,10);6-9H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;6-7,9H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3,(H,8,9,10);5-7H,3-4H2,1-2H3;17*1H4/t;;;;;;;;;;;;;;;8-;;;;;;;;;;;;;;;;;;;/m...............1.................../s1.
What are the key properties of 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine?
6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine has a molecular weight of 3000.82 g/mol, XLogP of 42.99, 34 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;3-fluoro-4-(2-methylpropoxy)oxane;methane;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;methyl 3-(propan-2-ylamino)azetidine-1-carboxylate;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 161128765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).