2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane

C132H250F5N13 — CID 162061385

IUPAC2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane
SMILESC.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2(C1)CC(F)(F)C2.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC1C2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC1)CC2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC1(F)C2CN(C(C)(C)C)CC21.CC1CN(C(C)(C)C)C1
InChIInChI=1S/C12H23N.C11H19F2N.2C11H21N.C10H17F2N.C10H18FN.4C10H19N.2C9H17N.C8H17N.CH4/c1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)14-6-4-10(5-7-14)8-11(10,12)13;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-8(2,3)13-6-9(7-13)4-10(11,12)5-9;1-9(2,3)12-5-7-8(6-12)10(7,4)11;1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7;1-7-5-9(6-7)8(2,3)4;/h4-10H2,1-3H3;4-8H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;4-7H2,1-3H3;7-8H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;1H4
InChIKeyYZWSOKZQYAUSER-UHFFFAOYSA-N
MW2114.53 g/mol
LogP30.93
Rot. Bonds

About 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane

2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane (PubChem CID 162061385) has the molecular formula C132H250F5N13 and a molecular weight of 2114.53 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane.

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane
PubChem CID162061385
Molecular FormulaC132H250F5N13
Molecular Weight2114.53 g/mol
Exact Mass2112.99
IUPAC Name2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane
SMILESC.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2(C1)CC(F)(F)C2.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC1C2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC1)CC2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC1(F)C2CN(C(C)(C)C)CC21.CC1CN(C(C)(C)C)C1
InChIInChI=1S/C12H23N.C11H19F2N.2C11H21N.C10H17F2N.C10H18FN.4C10H19N.2C9H17N.C8H17N.CH4/c1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)14-6-4-10(5-7-14)8-11(10,12)13;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-8(2,3)13-6-9(7-13)4-10(11,12)5-9;1-9(2,3)12-5-7-8(6-12)10(7,4)11;1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7;1-7-5-9(6-7)8(2,3)4;/h4-10H2,1-3H3;4-8H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;4-7H2,1-3H3;7-8H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;1H4
InChIKeyYZWSOKZQYAUSER-UHFFFAOYSA-N
XLogP30.93
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002114.53
LogP ≤ 530.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane with MolForge

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Related Compounds

3,3-Dimethylbutylcyclobutane;3,3-dimethylbutylcyclohexane;3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-(3,3-dimethylbutyl)-3,3-difluoroazetidine;1-(3,3-dimethylbutyl)-4,4-difluoro-2,2-dimethylpyrrolidine;1-(3,3-dimethylbutyl)-5,5-difluoro-2-methylpiperidine;1-(3,3-dimethylbutyl)-4,4-difluoro-2-methylpyrrolidine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;1-(3,3-dimethylbutyl)-3,4-difluoropiperidine;1-(3,3-dimethylbutyl)-3,5-difluoropiperidine;1-(3,3-dimethylbutyl)-4,4-difluoropiperidine;1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine;1-(3,3-dimethylbutyl)-3,4-difluoropyrrolidine;1-(3,3-dimethylbutyl)-3,3-dimethylazetidine;1-(3,3-dimethylbutyl)-3-fluoro-3-methylpiperidine;1-(3,3-dimethylbutyl)-3-fluoro-3-methylpyrrolidine;1-(3,3-dimethylbutyl)-3-fluoropyrrolidine;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)azetidine
CID 157392802
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3-methylazetidine
CID 157728719
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-fluoro-2-methyl-6-azaspiro[2.5]octane;1-tert-butyl-3-methylazetidine
CID 157985605
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane;methane
CID 158001229
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane
CID 160370817
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-fluoro-2-methyl-6-azaspiro[2.5]octane
CID 160800704
2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane;(1S,5R)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;1-tert-butyl-3-(trifluoromethyl)azetidine;methane
CID 160820935
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane
CID 161411823
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine
CID 161546427
3,3-Dimethylbutylcyclobutane;3,3-dimethylbutylcyclohexane;3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-(3,3-dimethylbutyl)-3,3-difluoroazetidine;1-(3,3-dimethylbutyl)-4,4-difluoro-2,2-dimethylpyrrolidine;1-(3,3-dimethylbutyl)-5,5-difluoro-2-methylpiperidine;1-(3,3-dimethylbutyl)-4,4-difluoro-2-methylpyrrolidine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;1-(3,3-dimethylbutyl)-3,4-difluoropiperidine;1-(3,3-dimethylbutyl)-3,5-difluoropiperidine;1-(3,3-dimethylbutyl)-4,4-difluoropiperidine;1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine;1-(3,3-dimethylbutyl)-3,4-difluoropyrrolidine;1-(3,3-dimethylbutyl)-3,3-dimethylazetidine;1-(3,3-dimethylbutyl)-3-fluoro-3-methylpiperidine;1-(3,3-dimethylbutyl)-3-fluoro-3-methylpyrrolidine;1-(3,3-dimethylbutyl)-3-methylpyrrolidine;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)azetidine
CID 161655987
3,3-difluoro-1-propan-2-ylazetidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;6-fluoro-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;4-fluoro-4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 161809256
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-fluoro-2-methyl-6-azaspiro[2.5]octane
CID 159825150

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane?
The IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane (CID 162061385) is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane is C.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2(C1)CC(F)(F)C2.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC1C2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC1)CC2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC1(F)C2CN(C(C)(C)C)CC21.CC1CN(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane?
The InChIKey is YZWSOKZQYAUSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C11H19F2N.2C11H21N.C10H17F2N.C10H18FN.4C10H19N.2C9H17N.C8H17N.CH4/c1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)14-6-4-10(5-7-14)8-11(10,12)13;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-8(2,3)13-6-9(7-13)4-10(11,12)5-9;1-9(2,3)12-5-7-8(6-12)10(7,4)11;1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7;1-7-5-9(6-7)8(2,3)4;/h4-10H2,1-3H3;4-8H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;4-7H2,1-3H3;7-8H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;1H4.
What are the key properties of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane?
2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane has a molecular weight of 2114.53 g/mol, XLogP of 30.93, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;3-tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane;1-tert-butyl-3-methylazetidine;methane is sourced from PubChem (CID 162061385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).