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

C114H213F4N11 — CID 160800704

IUPAC2-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
SMILESCC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2C(C1)C2(F)F.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(C)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC1(F)CC2(CN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H22FN.C12H23N.C11H20FN.2C11H21N.3C10H19N.C9H15F2N.2C9H17N/c1-10(2,3)14-7-5-12(6-8-14)9-11(12,4)13;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)13-7-11(8-13)5-10(4,12)6-11;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;1-10(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;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7/h5-9H2,1-4H3;4-10H2,1-3H3;5-8H2,1-4H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;2*7-8H,4-6H2,1-3H3
InChIKeySDALTCILYVFDJS-UHFFFAOYSA-N
MW1814.03 g/mol
LogP26.53
Rot. Bonds

About 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

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 (PubChem CID 160800704) has the molecular formula C114H213F4N11 and a molecular weight of 1814.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID160800704
Molecular FormulaC114H213F4N11
Molecular Weight1814.03 g/mol
Exact Mass1812.69
IUPAC Name2-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
SMILESCC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2C(C1)C2(F)F.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(C)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC1(F)CC2(CN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H22FN.C12H23N.C11H20FN.2C11H21N.3C10H19N.C9H15F2N.2C9H17N/c1-10(2,3)14-7-5-12(6-8-14)9-11(12,4)13;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)13-7-11(8-13)5-10(4,12)6-11;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;1-10(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;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7/h5-9H2,1-4H3;4-10H2,1-3H3;5-8H2,1-4H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;2*7-8H,4-6H2,1-3H3
InChIKeySDALTCILYVFDJS-UHFFFAOYSA-N
XLogP26.53
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.03
LogP ≤ 526.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;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
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
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
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-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 161938684

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2C(C1)C2(F)F.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(C)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC1(F)CC2(CN(C(C)(C)C)C2)C1.
What is the InChIKey of 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?
The InChIKey is SDALTCILYVFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN.C12H23N.C11H20FN.2C11H21N.3C10H19N.C9H15F2N.2C9H17N/c1-10(2,3)14-7-5-12(6-8-14)9-11(12,4)13;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)13-7-11(8-13)5-10(4,12)6-11;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;1-10(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;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7/h5-9H2,1-4H3;4-10H2,1-3H3;5-8H2,1-4H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;2*7-8H,4-6H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1814.03 g/mol, XLogP of 26.53, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160800704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).