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

C120H237F4N11 — CID 158001229

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;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

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 (PubChem CID 158001229) has the molecular formula C120H237F4N11 and a molecular weight of 1910.28 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;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.

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;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
• PubChem CID: 158001229
• Molecular Formula: C120H237F4N11
• Molecular Weight: 1910.28 g/mol
• Exact Mass: 1908.88
• 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;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
• SMILES: C.C.C.C.C.C.CC(C)(C)N1C2CCC1CC2.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.CC1(F)CC2(CN(C(C)(C)C)C2)C1
• InChI: InChI=1S/C12H23N.C11H19F2N.C11H20FN.2C11H21N.C10H18FN.3C10H19N.2C9H17N.6CH4/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;1-9(2,3)12-5-7-8(6-12)10(7,4)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;;;;;;/h4-10H2,1-3H3;4-8H2,1-3H3;5-8H2,1-4H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;7-8H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;6*1H4
• InChIKey: FDTLWRQCLGVSTB-UHFFFAOYSA-N
• XLogP: 30.34
• TPSA: 35.64 Ų
• H-Bond Acceptors: 11
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.28
LogP ≤ 5	30.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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;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?

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;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) 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;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.

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;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?

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;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 is C.C.C.C.C.C.CC(C)(C)N1C2CCC1CC2.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.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;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?

The InChIKey is FDTLWRQCLGVSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C11H19F2N.C11H20FN.2C11H21N.C10H18FN.3C10H19N.2C9H17N.6CH4/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;1-9(2,3)12-5-7-8(6-12)10(7,4)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;;;;;;/h4-10H2,1-3H3;4-8H2,1-3H3;5-8H2,1-4H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;7-8H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;6*1H4.

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;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?

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 has a molecular weight of 1910.28 g/mol, XLogP of 30.34, 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;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 is sourced from PubChem (CID 158001229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).