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

C138H203N21O4 — CID 167612507

IUPAC3-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
SMILESCC(C)(C)C1Cc2ccccc2CO1.CC(C)C(C)Cc1ccccc1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CC=C2.CC(C)c1cc2n(c1)CCC2.CC(C)c1cc2n(c1)CCOC2.CC(C)c1cnn2c1CCC2.CC(C)c1cnn2c1COCC2.CC(C)c1cnn2ccccc12.Cc1cc(NC(C)C)ccn1.Cn1ncc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C13H18O.C12H20N2.C12H18.C11H15NO.C10H12N2.C10H15NO.C10H15N.C10H13N.C9H14N2O.2C9H14N2.2C8H12N2.C7H11N3/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)9-7-11-12-6-4-3-5-10(9)12;1-8(2)9-5-10-7-12-4-3-11(10)6-9;2*1-8(2)9-6-10-4-3-5-11(10)7-9;1-7(2)8-5-10-11-3-4-12-6-9(8)11;1-7(2)8-6-10-11-5-3-4-9(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;1-6(2)10-7-8-4-3-5-9-7/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;3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-4,6-8H,5H2,1-2H3;5,7H,3-4,6H2,1-2H3;6-7H,3-5H2,1-2H3;4-7H,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);3-7,10H,1-2H3;3-6H,1-2H3,(H,8,9,10)
InChIKeyLGLNOYGSCOBUHK-UHFFFAOYSA-N
MW2220.28 g/mol
LogP32.45
Rot. Bonds18

About 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

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 (PubChem CID 167612507) has the molecular formula C138H203N21O4 and a molecular weight of 2220.28 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;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.

Molecular Properties

Compound Name3-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
PubChem CID167612507
Molecular FormulaC138H203N21O4
Molecular Weight2220.28 g/mol
Exact Mass2218.63
IUPAC Name3-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
SMILESCC(C)(C)C1Cc2ccccc2CO1.CC(C)C(C)Cc1ccccc1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CC=C2.CC(C)c1cc2n(c1)CCC2.CC(C)c1cc2n(c1)CCOC2.CC(C)c1cnn2c1CCC2.CC(C)c1cnn2c1COCC2.CC(C)c1cnn2ccccc12.Cc1cc(NC(C)C)ccn1.Cn1ncc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C13H18O.C12H20N2.C12H18.C11H15NO.C10H12N2.C10H15NO.C10H15N.C10H13N.C9H14N2O.2C9H14N2.2C8H12N2.C7H11N3/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)9-7-11-12-6-4-3-5-10(9)12;1-8(2)9-5-10-7-12-4-3-11(10)6-9;2*1-8(2)9-6-10-4-3-5-11(10)7-9;1-7(2)8-5-10-11-3-4-12-6-9(8)11;1-7(2)8-6-10-11-5-3-4-9(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;1-6(2)10-7-8-4-3-5-9-7/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;3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-4,6-8H,5H2,1-2H3;5,7H,3-4,6H2,1-2H3;6-7H,3-5H2,1-2H3;4-7H,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);3-7,10H,1-2H3;3-6H,1-2H3,(H,8,9,10)
InChIKeyLGLNOYGSCOBUHK-UHFFFAOYSA-N
XLogP32.45
TPSA247.81 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002220.28
LogP ≤ 532.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-prop-2-enoyl-5-[2-[4-[(3S)-1-prop-2-enoylpiperidine-3-carbonyl]morpholin-2-yl]-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-[3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclobutyl]pyrrolidine-2-carboxamide
CID 138500250
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
ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one
CID 158570022
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
7-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(3-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 160453635
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
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
ethane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one
CID 161563365
1-[6,8-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-6-yl]ethanol;4,7-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-3-propan-2-yl-4,5,7,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-11-amine;3-(methoxymethyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,3-h]quinazolin-8-amine;1-[4-methyl-8-[(5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-yl-5H-imidazo[4,5-h]quinazolin-4-yl]ethanone
CID 164017042
tert-butyl 2,3-ditert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-(2,3-ditert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;2,3-ditert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2,3-ditert-butyl-4,6-dihydropyrazolo[1,5-c][1,3]thiazole;2,3-ditert-butyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;2,3-ditert-butyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;2,3-ditert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;2,3-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;2,3-ditert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2,3-ditert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 165110240

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;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?
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;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) is 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.
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;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?
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;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 is CC(C)(C)C1Cc2ccccc2CO1.CC(C)C(C)Cc1ccccc1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ncccn1.CC(C)c1cc2n(c1)C(=O)CCC2.CC(C)c1cc2n(c1)CC=C2.CC(C)c1cc2n(c1)CCC2.CC(C)c1cc2n(c1)CCOC2.CC(C)c1cnn2c1CCC2.CC(C)c1cnn2c1COCC2.CC(C)c1cnn2ccccc12.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;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?
The InChIKey is LGLNOYGSCOBUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C12H20N2.C12H18.C11H15NO.C10H12N2.C10H15NO.C10H15N.C10H13N.C9H14N2O.2C9H14N2.2C8H12N2.C7H11N3/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)9-7-11-12-6-4-3-5-10(9)12;1-8(2)9-5-10-7-12-4-3-11(10)6-9;2*1-8(2)9-6-10-4-3-5-11(10)7-9;1-7(2)8-5-10-11-3-4-12-6-9(8)11;1-7(2)8-6-10-11-5-3-4-9(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;1-6(2)10-7-8-4-3-5-9-7/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;3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-4,6-8H,5H2,1-2H3;5,7H,3-4,6H2,1-2H3;6-7H,3-5H2,1-2H3;4-7H,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);3-7,10H,1-2H3;3-6H,1-2H3,(H,8,9,10).
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;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?
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 has a molecular weight of 2220.28 g/mol, XLogP of 32.45, 18 rotatable bonds, 4 hydrogen bond donors, and 25 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;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 is sourced from PubChem (CID 167612507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).