3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane

C99H188N6 — CID 158791969

About 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane

3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane (PubChem CID 158791969) has the molecular formula C99H188N6 and a molecular weight of 1462.63 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane.

Molecular Properties

• Compound Name: 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane
• PubChem CID: 158791969
• Molecular Formula: C99H188N6
• Molecular Weight: 1462.63 g/mol
• Exact Mass: 1461.49
• IUPAC Name: 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane
• SMILES: CC(C)(C)C1C2CCCC1CC2.CC(C)(C)C1CC2CCCCC(C2)C1.CC(C)(C)C1CN(C(C)(C)C)C2CCC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCCC1C2
• InChI: InChI=1S/C16H31N.C14H26.C13H25N.C12H23N.C12H22.2C11H21N.C10H19N/c1-15(2,3)14-11-17(16(4,5)6)13-9-7-12(14)8-10-13;1-14(2,3)13-9-11-6-4-5-7-12(8-11)10-13;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;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/h12-14H,7-11H2,1-6H3;11-13H,4-10H2,1-3H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
• InChIKey: ISJUKXPSJYUDAJ-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1462.63
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane?

The IUPAC name of 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane (CID 158791969) is 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane.

What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane?

The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane is CC(C)(C)C1C2CCCC1CC2.CC(C)(C)C1CC2CCCCC(C2)C1.CC(C)(C)C1CN(C(C)(C)C)C2CCC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCCC1C2.

What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane?

The InChIKey is ISJUKXPSJYUDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N.C14H26.C13H25N.C12H23N.C12H22.2C11H21N.C10H19N/c1-15(2,3)14-11-17(16(4,5)6)13-9-7-12(14)8-10-13;1-14(2,3)13-9-11-6-4-5-7-12(8-11)10-13;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;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/h12-14H,7-11H2,1-6H3;11-13H,4-10H2,1-3H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;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 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane?

3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane has a molecular weight of 1462.63 g/mol, XLogP of 26.90, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 158791969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).