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

C131H245F8N13O — CID 160820935

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;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

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 (PubChem CID 160820935) has the molecular formula C131H245F8N13O and a molecular weight of 2170.47 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;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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160820935
• Molecular Formula: C131H245F8N13O
• Molecular Weight: 2170.47 g/mol
• Exact Mass: 2168.94
• IUPAC Name: 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
• SMILES: C.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC(C(F)(F)F)C1.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(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1C[C@H]2C[C@@H](C1)O2.CC1(F)CC2(CN(C(C)(C)C)C2)C1
• InChI: InChI=1S/C12H23N.C11H19F2N.C11H20FN.2C11H21N.3C10H19N.C9H15F2N.C9H17NO.2C9H17N.C8H14F3N.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;1-9(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(6-10)11-7;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(2,3)12-4-6(5-12)8(9,10)11;/h4-10H2,1-3H3;4-8H2,1-3H3;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;7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;6H,4-5H2,1-3H3;1H4/t;;;;;;;;;7-,8+
• InChIKey: SFNRVKJGCXWJKH-BQBKYIBXSA-N
• XLogP: 30.61
• TPSA: 51.35 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.47
LogP ≤ 5	30.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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;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?

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;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) 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;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.

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;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?

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;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 is C.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC(C(F)(F)F)C1.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(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1C[C@H]2C[C@@H](C1)O2.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;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?

The InChIKey is SFNRVKJGCXWJKH-BQBKYIBXSA-N. The full InChI is InChI=1S/C12H23N.C11H19F2N.C11H20FN.2C11H21N.3C10H19N.C9H15F2N.C9H17NO.2C9H17N.C8H14F3N.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;1-9(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(6-10)11-7;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(2,3)12-4-6(5-12)8(9,10)11;/h4-10H2,1-3H3;4-8H2,1-3H3;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;7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;6H,4-5H2,1-3H3;1H4/t;;;;;;;;;7-,8+;;;;.

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;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?

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 has a molecular weight of 2170.47 g/mol, XLogP of 30.61, 0 rotatable bonds, 0 hydrogen bond donors, and 14 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;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 is sourced from PubChem (CID 160820935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).