2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

C284H472N26O7S — CID 158072809

IUPAC2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC(C)(C)C1CCCN1.CC(C)(C)C1COCO1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)C1OCc2ccccc2O1.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)N1CC2(CCC2)C1.CC(C)N1CC2CC2C1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC1)OCc1ccccc12.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC21.CC(C)N1CCCC12CC2.CC(C)N1CCCC12CCC2.CC(C)N1CCCC12CCCC2.CC(C)N1CCCC12CCOC2.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)N1CCCC2(COC2)C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c3c1CCCN3CCC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccncc1
InChIInChI=1S/C15H21NO.C15H21N.C13H15N.C13H19N.C13H18.C12H16O2.C12H14.3C11H21N.C11H13N.2C10H19NO.4C10H19N.3C9H17N.2C8H15N.C8H17N.C8H11N.2C7H12N2.C7H11NS.C7H14O2/c1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15;1-11(2)13-8-7-12-5-3-9-16-10-4-6-14(13)15(12)16;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2)12-8-4-7-11(9-12)5-3-6-11;1-10(2)12-9-5-8-11(12)6-3-4-7-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-9(2)11-6-3-4-10(11)5-7-12-8-10;1-9(2)11-5-3-4-10(6-11)7-12-8-10;1-10(2,3)11-6-4-5-8-7-9(8)11;1-9(2)11-8-4-7-10(11)5-3-6-10;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-7-3-4-9(10)5-6-9;1-8(2)10-6-9(7-10)4-3-5-9;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-4-3-7-5-8(7)9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-5-9-6/h3-6,12H,7-11H2,1-2H3;7-8,11H,3-6,9-10H2,1-2H3;4-9H,1-3H3;4-7H,8-10H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7,11H,8H2,1-3H3;3,5-9H,4H2,1-2H3;9-10H,4-8H2,1-3H3;2*10H,3-9H2,1-2H3;3-8,12H,1-2H3;2*9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;3*9H,3-8H2,1-2H3;3*8H,3-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;7,9H,4-6H2,1-3H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;6H,4-5H2,1-3H3
InChIKeyFLZZMLVOAZXZBC-UHFFFAOYSA-N
MW4395.14 g/mol
LogP66.19
Rot. Bonds17

About 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 158072809) has the molecular formula C284H472N26O7S and a molecular weight of 4395.14 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID158072809
Molecular FormulaC284H472N26O7S
Molecular Weight4395.14 g/mol
Exact Mass4391.71
IUPAC Name2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC(C)(C)C1CCCN1.CC(C)(C)C1COCO1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)C1OCc2ccccc2O1.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)N1CC2(CCC2)C1.CC(C)N1CC2CC2C1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC1)OCc1ccccc12.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC21.CC(C)N1CCCC12CC2.CC(C)N1CCCC12CCC2.CC(C)N1CCCC12CCCC2.CC(C)N1CCCC12CCOC2.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)N1CCCC2(COC2)C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c3c1CCCN3CCC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccncc1
InChIInChI=1S/C15H21NO.C15H21N.C13H15N.C13H19N.C13H18.C12H16O2.C12H14.3C11H21N.C11H13N.2C10H19NO.4C10H19N.3C9H17N.2C8H15N.C8H17N.C8H11N.2C7H12N2.C7H11NS.C7H14O2/c1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15;1-11(2)13-8-7-12-5-3-9-16-10-4-6-14(13)15(12)16;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2)12-8-4-7-11(9-12)5-3-6-11;1-10(2)12-9-5-8-11(12)6-3-4-7-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-9(2)11-6-3-4-10(11)5-7-12-8-10;1-9(2)11-5-3-4-10(6-11)7-12-8-10;1-10(2,3)11-6-4-5-8-7-9(8)11;1-9(2)11-8-4-7-10(11)5-3-6-10;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-7-3-4-9(10)5-6-9;1-8(2)10-6-9(7-10)4-3-5-9;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-4-3-7-5-8(7)9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-5-9-6/h3-6,12H,7-11H2,1-2H3;7-8,11H,3-6,9-10H2,1-2H3;4-9H,1-3H3;4-7H,8-10H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7,11H,8H2,1-3H3;3,5-9H,4H2,1-2H3;9-10H,4-8H2,1-3H3;2*10H,3-9H2,1-2H3;3-8,12H,1-2H3;2*9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;3*9H,3-8H2,1-2H3;3*8H,3-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;7,9H,4-6H2,1-3H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;6H,4-5H2,1-3H3
InChIKeyFLZZMLVOAZXZBC-UHFFFAOYSA-N
XLogP66.19
TPSA232.68 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds17
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004395.14
LogP ≤ 566.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 158072809) is 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is CC(C)(C)C1CCCN1.CC(C)(C)C1COCO1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)C1OCc2ccccc2O1.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)N1CC2(CCC2)C1.CC(C)N1CC2CC2C1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC1)OCc1ccccc12.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC21.CC(C)N1CCCC12CC2.CC(C)N1CCCC12CCC2.CC(C)N1CCCC12CCCC2.CC(C)N1CCCC12CCOC2.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)N1CCCC2(COC2)C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c3c1CCCN3CCC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccncc1.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is FLZZMLVOAZXZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C15H21N.C13H15N.C13H19N.C13H18.C12H16O2.C12H14.3C11H21N.C11H13N.2C10H19NO.4C10H19N.3C9H17N.2C8H15N.C8H17N.C8H11N.2C7H12N2.C7H11NS.C7H14O2/c1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15;1-11(2)13-8-7-12-5-3-9-16-10-4-6-14(13)15(12)16;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2)12-8-4-7-11(9-12)5-3-6-11;1-10(2)12-9-5-8-11(12)6-3-4-7-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-9(2)11-6-3-4-10(11)5-7-12-8-10;1-9(2)11-5-3-4-10(6-11)7-12-8-10;1-10(2,3)11-6-4-5-8-7-9(8)11;1-9(2)11-8-4-7-10(11)5-3-6-10;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-7-3-4-9(10)5-6-9;1-8(2)10-6-9(7-10)4-3-5-9;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-4-3-7-5-8(7)9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-5-9-6/h3-6,12H,7-11H2,1-2H3;7-8,11H,3-6,9-10H2,1-2H3;4-9H,1-3H3;4-7H,8-10H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7,11H,8H2,1-3H3;3,5-9H,4H2,1-2H3;9-10H,4-8H2,1-3H3;2*10H,3-9H2,1-2H3;3-8,12H,1-2H3;2*9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;3*9H,3-8H2,1-2H3;3*8H,3-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;7,9H,4-6H2,1-3H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 4395.14 g/mol, XLogP of 66.19, 17 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-1,3-dioxolane;5-tert-butylisoquinoline;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azaspiro[3.3]heptane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;4-propan-2-ylpyridine;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 158072809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).