2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

C228H370N18O5S — CID 157152412

IUPAC2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC(C)(C)C1CCCO1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)C1OCc2ccccc2O1.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c3c1CCCN3CCC2.CC(C)(C)c1cccc2ccccc12.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)OCc1ccccc12.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC21.CC(C)N1CCCC12CC2.CC(C)N1CCCC12CCCC2.CC(C)N1CCCC12CCOC2.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccccc1
InChIInChI=1S/C16H23N.C15H21NO.C14H16.C13H19N.C13H18.C12H16O2.C12H14.2C11H21N.C10H19NO.2C10H19N.3C9H17N.C9H12.2C8H15N.C8H16O.2C7H12N2.C7H11NS/c1-16(2,3)14-9-8-12-6-4-10-17-11-5-7-13(14)15(12)17;1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;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;1-10(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;1-9(2)11-6-3-4-10(11)5-7-12-8-10;1-10(2,3)11-6-4-5-8-7-9(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;1-8(2)9-6-4-3-5-7-9;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(2,3)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/h8-9H,4-7,10-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;4-10H,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;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;3*8H,3-7H2,1-2H3;3-8H,1-2H3;2*6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyALKHWKXBCOUKJU-UHFFFAOYSA-N
MW3475.66 g/mol
LogP54.46
Rot. Bonds12

About 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 157152412) has the molecular formula C228H370N18O5S and a molecular weight of 3475.66 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID157152412
Molecular FormulaC228H370N18O5S
Molecular Weight3475.66 g/mol
Exact Mass3472.90
IUPAC Name2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC(C)(C)C1CCCO1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)C1OCc2ccccc2O1.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c3c1CCCN3CCC2.CC(C)(C)c1cccc2ccccc12.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)OCc1ccccc12.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC21.CC(C)N1CCCC12CC2.CC(C)N1CCCC12CCCC2.CC(C)N1CCCC12CCOC2.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccccc1
InChIInChI=1S/C16H23N.C15H21NO.C14H16.C13H19N.C13H18.C12H16O2.C12H14.2C11H21N.C10H19NO.2C10H19N.3C9H17N.C9H12.2C8H15N.C8H16O.2C7H12N2.C7H11NS/c1-16(2,3)14-9-8-12-6-4-10-17-11-5-7-13(14)15(12)17;1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;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;1-10(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;1-9(2)11-6-3-4-10(11)5-7-12-8-10;1-10(2,3)11-6-4-5-8-7-9(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;1-8(2)9-6-4-3-5-7-9;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(2,3)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/h8-9H,4-7,10-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;4-10H,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;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;3*8H,3-7H2,1-2H3;3-8H,1-2H3;2*6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyALKHWKXBCOUKJU-UHFFFAOYSA-N
XLogP54.46
TPSA147.66 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003475.66
LogP ≤ 554.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-2-azabicyclo[2.2.2]octane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole
CID 157071105
2-tert-butyl-2-azabicyclo[2.2.2]octane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;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;1-tert-butylnaphthalene;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-yl-1-azaspiro[4.4]nonane;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;4-propan-2-ylpyridine
CID 157212601
2-tert-butyl-2-azabicyclo[2.2.2]octane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butylisoquinoline;2-tert-butyloxolane;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole
CID 157267269
2-tert-butyl-2-azabicyclo[2.2.2]octane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;cumene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole
CID 157399499
2-tert-butyl-2-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butylthiophene;cumene;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-1H-indene;4-propan-2-yl-1H-indole;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 157406246
CID 157525340
CID 157525340
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;5-tert-butylisoquinoline;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole
CID 157567639
2-tert-butyl-2-azabicyclo[2.2.2]octane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butylisoquinoline;2-tert-butyloxolane;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;cumene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole
CID 157805775
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;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole
CID 157914192
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;5-tert-butyl-1H-indene;1-tert-butylnaphthalene;5-tert-butyl-1H-pyrazole;2-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;4-propan-2-yl-1H-indole
CID 157921468
CID 157991606
CID 157991606
CID 158072809
CID 158072809

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 157152412) is 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;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;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is CC(C)(C)C1CCCO1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)C1OCc2ccccc2O1.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c3c1CCCN3CCC2.CC(C)(C)c1cccc2ccccc12.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)OCc1ccccc12.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC21.CC(C)N1CCCC12CC2.CC(C)N1CCCC12CCCC2.CC(C)N1CCCC12CCOC2.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccccc1.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is ALKHWKXBCOUKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C15H21NO.C14H16.C13H19N.C13H18.C12H16O2.C12H14.2C11H21N.C10H19NO.2C10H19N.3C9H17N.C9H12.2C8H15N.C8H16O.2C7H12N2.C7H11NS/c1-16(2,3)14-9-8-12-6-4-10-17-11-5-7-13(14)15(12)17;1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;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;1-10(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;1-9(2)11-6-3-4-10(11)5-7-12-8-10;1-10(2,3)11-6-4-5-8-7-9(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;1-8(2)9-6-4-3-5-7-9;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(2,3)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/h8-9H,4-7,10-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;4-10H,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;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;3*8H,3-7H2,1-2H3;3-8H,1-2H3;2*6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 3475.66 g/mol, XLogP of 54.46, 12 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[4.1.0]heptane;6-tert-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-tert-butyl-4H-1,3-benzodioxine;2-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylnaphthalene;2-tert-butyloxolane;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;cumene;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-1H-indene;1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 157152412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).