8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane

C122H240F2N12O9 — CID 165037594

IUPAC8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane
SMILESC.C.C.C.C.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CCOC2(CC2)C1.CC(C)(C)N1CCOC2(CCC2)C1.CC(C)(C)N1CCOC2CC21.CC(C)(C)N1CCOCC12CC2.CC(C)N1C2CCC(OC2)C1C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(F)(F)C2.CC1CN(C(C)(C)C)CC12CC2
InChIInChI=1S/C11H21NO.2C11H21N.4C10H19NO.C9H15F2N.3C9H17NO.C8H15NO.5CH4/c1-10(2,3)12-7-8-13-11(9-12)5-4-6-11;1-9-7-12(10(2,3)4)8-11(9)5-6-11;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-9(2,3)11-6-7-12-8-10(11)4-5-10;1-9(2,3)11-6-7-12-10(8-11)4-5-10;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-9(2,3)10-4-5-11-8-6-7(8)10;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-5-8-3-4-9(6-10)11-8;1-6(2)9-4-8-3-7(9)5-10-8;;;;;/h4-9H2,1-3H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*4-8H2,1-3H3;7-10H,4-6H2,1-3H3;7H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;5*1H4
InChIKeyNPWYAXWGPXFRHK-UHFFFAOYSA-N
MW2057.33 g/mol
LogP24.04
Rot. Bonds5

About 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane

8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane (PubChem CID 165037594) has the molecular formula C122H240F2N12O9 and a molecular weight of 2057.33 g/mol. Its IUPAC name is 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane
PubChem CID165037594
Molecular FormulaC122H240F2N12O9
Molecular Weight2057.33 g/mol
Exact Mass2055.87
IUPAC Name8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane
SMILESC.C.C.C.C.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CCOC2(CC2)C1.CC(C)(C)N1CCOC2(CCC2)C1.CC(C)(C)N1CCOC2CC21.CC(C)(C)N1CCOCC12CC2.CC(C)N1C2CCC(OC2)C1C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(F)(F)C2.CC1CN(C(C)(C)C)CC12CC2
InChIInChI=1S/C11H21NO.2C11H21N.4C10H19NO.C9H15F2N.3C9H17NO.C8H15NO.5CH4/c1-10(2,3)12-7-8-13-11(9-12)5-4-6-11;1-9-7-12(10(2,3)4)8-11(9)5-6-11;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-9(2,3)11-6-7-12-8-10(11)4-5-10;1-9(2,3)11-6-7-12-10(8-11)4-5-10;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-9(2,3)10-4-5-11-8-6-7(8)10;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-5-8-3-4-9(6-10)11-8;1-6(2)9-4-8-3-7(9)5-10-8;;;;;/h4-9H2,1-3H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*4-8H2,1-3H3;7-10H,4-6H2,1-3H3;7H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;5*1H4
InChIKeyNPWYAXWGPXFRHK-UHFFFAOYSA-N
XLogP24.04
TPSA121.95 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds5
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.33
LogP ≤ 524.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

CID 158350626
CID 158350626
8-Tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;1-tert-butyl-2,2-difluoroazetidine;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 159630772
5-Tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine
CID 165017233
5-Tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 165026515
(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157083722
(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158372980
8-Tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane
CID 159164679
1,5-Dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 160014383
(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane
CID 161971905
7-Tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 167645524

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane?
The IUPAC name of 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane (CID 165037594) is 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane.
What is the SMILES notation for 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane?
The canonical SMILES for 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane is C.C.C.C.C.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CCOC2(CC2)C1.CC(C)(C)N1CCOC2(CCC2)C1.CC(C)(C)N1CCOC2CC21.CC(C)(C)N1CCOCC12CC2.CC(C)N1C2CCC(OC2)C1C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(F)(F)C2.CC1CN(C(C)(C)C)CC12CC2.
What is the InChIKey of 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane?
The InChIKey is NPWYAXWGPXFRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.2C11H21N.4C10H19NO.C9H15F2N.3C9H17NO.C8H15NO.5CH4/c1-10(2,3)12-7-8-13-11(9-12)5-4-6-11;1-9-7-12(10(2,3)4)8-11(9)5-6-11;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-9(2,3)11-6-7-12-8-10(11)4-5-10;1-9(2,3)11-6-7-12-10(8-11)4-5-10;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-9(2,3)10-4-5-11-8-6-7(8)10;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-5-8-3-4-9(6-10)11-8;1-6(2)9-4-8-3-7(9)5-10-8;;;;;/h4-9H2,1-3H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*4-8H2,1-3H3;7-10H,4-6H2,1-3H3;7H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;5*1H4.
What are the key properties of 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane?
8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane has a molecular weight of 2057.33 g/mol, XLogP of 24.04, 5 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;5-tert-butyl-2-oxa-5-azabicyclo[4.1.0]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;8-tert-butyl-5-oxa-8-azaspiro[3.5]nonane;4-tert-butyl-7-oxa-4-azaspiro[2.5]octane;7-tert-butyl-4-oxa-7-azaspiro[2.5]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane is sourced from PubChem (CID 165037594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).