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

C175H296FN21O14 — CID 160760826

IUPAC3-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
SMILESCC(C)(C)C1Cc2ccccc2CO1.CC(C)C(C)Cc1ccccc1.CC(C)C1CC2(CCOC2)C1.CC(C)COC1(C)CCOCC1.CC(C)COC1CCOCC1F.CC(C)NC1COC1.CC(C)N[C@H]1CCOC1.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CCOC2.CC(C)c1cnn2c1COCC2.CCC(=O)C1CC(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/C13H18O.C12H20N2.C12H18.C11H15NO.C10H15NO.C10H19NO.C10H20O2.C10H18O.C9H17FO2.C9H14N2O.C9H14N2.3C8H12N2.C8H17NO.C8H16O.C7H11N3.C7H15NO.C6H13NO/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-10(2)11(3)9-12-7-5-4-6-8-12;1-8(2)9-6-10-4-3-5-11(13)12(10)7-9;1-8(2)9-5-10-7-12-4-3-11(10)6-9;1-4-10(12)8-5-9(6-8)11-7(2)3;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)8-5-10-11-3-4-12-6-9(8)11;1-7(2)11-9-4-5-10-8(3)6-9;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)10-7-8-4-3-5-9-7;1-6(2)8-7-3-4-9-5-7;1-5(2)7-6-3-8-4-6/h4-7,12H,8-9H2,1-3H3;8,10H,5-7H2,1-4H3;4-8,10-11H,9H2,1-3H3;6-8H,3-5H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;7-9,11H,4-6H2,1-3H3;9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;4-7H,1-3H3,(H,10,11);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;3-6H,1-2H3,(H,8,9,10);6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3/t;;;;;;;;;;;;;;;;;7-;/m.................0./s1
InChIKeyRYASUFYGJQQGFQ-CEDJXCGESA-N
MW2937.42 g/mol
LogP37.35
Rot. Bonds36

About 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

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 (PubChem CID 160760826) has the molecular formula C175H296FN21O14 and a molecular weight of 2937.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID160760826
Molecular FormulaC175H296FN21O14
Molecular Weight2937.42 g/mol
Exact Mass2935.31
IUPAC Name3-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
SMILESCC(C)(C)C1Cc2ccccc2CO1.CC(C)C(C)Cc1ccccc1.CC(C)C1CC2(CCOC2)C1.CC(C)COC1(C)CCOCC1.CC(C)COC1CCOCC1F.CC(C)NC1COC1.CC(C)N[C@H]1CCOC1.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CCOC2.CC(C)c1cnn2c1COCC2.CCC(=O)C1CC(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/C13H18O.C12H20N2.C12H18.C11H15NO.C10H15NO.C10H19NO.C10H20O2.C10H18O.C9H17FO2.C9H14N2O.C9H14N2.3C8H12N2.C8H17NO.C8H16O.C7H11N3.C7H15NO.C6H13NO/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-10(2)11(3)9-12-7-5-4-6-8-12;1-8(2)9-6-10-4-3-5-11(13)12(10)7-9;1-8(2)9-5-10-7-12-4-3-11(10)6-9;1-4-10(12)8-5-9(6-8)11-7(2)3;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)8-5-10-11-3-4-12-6-9(8)11;1-7(2)11-9-4-5-10-8(3)6-9;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)10-7-8-4-3-5-9-7;1-6(2)8-7-3-4-9-5-7;1-5(2)7-6-3-8-4-6/h4-7,12H,8-9H2,1-3H3;8,10H,5-7H2,1-4H3;4-8,10-11H,9H2,1-3H3;6-8H,3-5H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;7-9,11H,4-6H2,1-3H3;9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;4-7H,1-3H3,(H,10,11);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;3-6H,1-2H3,(H,8,9,10);6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3/t;;;;;;;;;;;;;;;;;7-;/m.................0./s1
InChIKeyRYASUFYGJQQGFQ-CEDJXCGESA-N
XLogP37.35
TPSA376.01 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002937.42
LogP ≤ 537.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 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 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-1H-isochromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157134906
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-(2-acetamidoethoxy)-N-[2-[3-[4-[(6-amino-2-methyl-8-oxo-7H-purin-9-yl)methyl]phenyl]pyrazol-1-yl]ethyl]-N-cyclobutylpropanamide;[4-[(3S)-3-[[(2S)-6-(2-acetamidoethoxy)-4-oxo-2-propan-2-ylhexanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl N-[2-[3-[4-[(6-amino-2-methyl-8-oxo-7H-purin-9-yl)methyl]phenyl]pyrazol-1-yl]ethyl]-N-cyclobutylcarbamate
CID 159298181
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
1-(4-Amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
CID 161405729
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1Cc2ccccc2CO1.CC(C)C(C)Cc1ccccc1.CC(C)C1CC2(CCOC2)C1.CC(C)COC1(C)CCOCC1.CC(C)COC1CCOCC1F.CC(C)NC1COC1.CC(C)N[C@H]1CCOC1.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CCOC2.CC(C)c1cnn2c1COCC2.CCC(=O)C1CC(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 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?
The InChIKey is RYASUFYGJQQGFQ-CEDJXCGESA-N. The full InChI is InChI=1S/C13H18O.C12H20N2.C12H18.C11H15NO.C10H15NO.C10H19NO.C10H20O2.C10H18O.C9H17FO2.C9H14N2O.C9H14N2.3C8H12N2.C8H17NO.C8H16O.C7H11N3.C7H15NO.C6H13NO/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-10(2)11(3)9-12-7-5-4-6-8-12;1-8(2)9-6-10-4-3-5-11(13)12(10)7-9;1-8(2)9-5-10-7-12-4-3-11(10)6-9;1-4-10(12)8-5-9(6-8)11-7(2)3;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)8-5-10-11-3-4-12-6-9(8)11;1-7(2)11-9-4-5-10-8(3)6-9;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)10-7-8-4-3-5-9-7;1-6(2)8-7-3-4-9-5-7;1-5(2)7-6-3-8-4-6/h4-7,12H,8-9H2,1-3H3;8,10H,5-7H2,1-4H3;4-8,10-11H,9H2,1-3H3;6-8H,3-5H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;7-9,11H,4-6H2,1-3H3;9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;4-7H,1-3H3,(H,10,11);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;3-6H,1-2H3,(H,8,9,10);6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3/t;;;;;;;;;;;;;;;;;7-;/m.................0./s1.
What are the key properties of 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?
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 has a molecular weight of 2937.42 g/mol, XLogP of 37.35, 36 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160760826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).