2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane

C84H160N6 — CID 159226227

About 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane

2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane (PubChem CID 159226227) has the molecular formula C84H160N6 and a molecular weight of 1254.25 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane
• PubChem CID: 159226227
• Molecular Formula: C84H160N6
• Molecular Weight: 1254.25 g/mol
• Exact Mass: 1253.27
• IUPAC Name: 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane
• SMILES: CC(C)(C)C1C2CCCC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCC2CCCC(C2)C1.CC(C)(C)N1CCC2CCCC1CC2.CC(C)(C)N1CCCC2CCCCC1C2
• InChI: InChI=1S/C14H27N.2C13H25N.C12H22.2C11H21N.C10H19N/c1-14(2,3)15-10-6-8-12-7-4-5-9-13(15)11-12;1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-10-9-11-5-4-6-12(14)8-7-11;1-12(2,3)11-9-5-4-6-10(11)8-7-9;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h12-13H,4-11H2,1-3H3;2*11-12H,4-10H2,1-3H3;9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
• InChIKey: KSHYNJSWWFFFLV-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1254.25
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane?

The IUPAC name of 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane (CID 159226227) is 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane.

What is the SMILES notation for 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane?

The canonical SMILES for 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane is CC(C)(C)C1C2CCCC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCC2CCCC(C2)C1.CC(C)(C)N1CCC2CCCC1CC2.CC(C)(C)N1CCCC2CCCCC1C2.

What is the InChIKey of 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane?

The InChIKey is KSHYNJSWWFFFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.2C13H25N.C12H22.2C11H21N.C10H19N/c1-14(2,3)15-10-6-8-12-7-4-5-9-13(15)11-12;1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-10-9-11-5-4-6-12(14)8-7-11;1-12(2,3)11-9-5-4-6-10(11)8-7-9;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h12-13H,4-11H2,1-3H3;2*11-12H,4-10H2,1-3H3;9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3.

What are the key properties of 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane?

2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane has a molecular weight of 1254.25 g/mol, XLogP of 22.16, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane is sourced from PubChem (CID 159226227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).