2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane

C129H225N11O4 — CID 167546841

About 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane

2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane (PubChem CID 167546841) has the molecular formula C129H225N11O4 and a molecular weight of 1994.29 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane
• PubChem CID: 167546841
• Molecular Formula: C129H225N11O4
• Molecular Weight: 1994.29 g/mol
• Exact Mass: 1992.77
• IUPAC Name: 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane
• SMILES: C.C1=CC2CCCC1N2.C1CC2CC(C1)C2.C1CC2CC1CN2.C1CC2CC1CO2.C1CC2CCC(C1)C2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CCC(C2)N1.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CO2.C1CC2CCC1N2.C1CC2CCN(C1)C2.C1CC2CNC(C1)C2.C1CN2CCC(C2)O1.c1ccc2c(c1)C1CCC2NC1
• InChI: InChI=1S/C11H13N.2C8H14.6C7H13N.C7H11N.2C7H12O.2C7H12.C6H11NO.2C6H11N.C6H10O.CH4/c1-2-4-10-9(3-1)8-5-6-11(10)12-7-8;1-2-8-5-3-7(1)4-6-8;1-2-7-4-5-8(3-1)6-7;1-2-7-5-6(1)3-4-8-7;1-2-7-3-5-8(4-1)6-7;1-2-6-4-7(3-1)8-5-6;4*1-2-6-4-5-7(3-1)8-6;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-7-3-4-8-6(1)5-7;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;1-2-6-3-5(1)4-7-6;/h1-4,8,11-12H,5-7H2;2*7-8H,1-6H2;6-8H,1-5H2;7H,1-6H2;4*6-8H,1-5H2;4-8H,1-3H2;2*6-7H,1-5H2;2*6-7H,1-5H2;6H,1-5H2;2*5-7H,1-4H2;5-6H,1-4H2;1H4
• InChIKey: BXBWBHKMOXDCCX-UHFFFAOYSA-N
• XLogP: 26.98
• TPSA: 151.67 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1994.29
LogP ≤ 5	26.98
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane?

The IUPAC name of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane (CID 167546841) is 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane.

What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane?

The canonical SMILES for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane is C.C1=CC2CCCC1N2.C1CC2CC(C1)C2.C1CC2CC1CN2.C1CC2CC1CO2.C1CC2CCC(C1)C2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CCC(C2)N1.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CO2.C1CC2CCC1N2.C1CC2CCN(C1)C2.C1CC2CNC(C1)C2.C1CN2CCC(C2)O1.c1ccc2c(c1)C1CCC2NC1.

What is the InChIKey of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane?

The InChIKey is BXBWBHKMOXDCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.2C8H14.6C7H13N.C7H11N.2C7H12O.2C7H12.C6H11NO.2C6H11N.C6H10O.CH4/c1-2-4-10-9(3-1)8-5-6-11(10)12-7-8;1-2-8-5-3-7(1)4-6-8;1-2-7-4-5-8(3-1)6-7;1-2-7-5-6(1)3-4-8-7;1-2-7-3-5-8(4-1)6-7;1-2-6-4-7(3-1)8-5-6;4*1-2-6-4-5-7(3-1)8-6;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-7-3-4-8-6(1)5-7;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;1-2-6-3-5(1)4-7-6;/h1-4,8,11-12H,5-7H2;2*7-8H,1-6H2;6-8H,1-5H2;7H,1-6H2;4*6-8H,1-5H2;4-8H,1-3H2;2*6-7H,1-5H2;2*6-7H,1-5H2;6H,1-5H2;2*5-7H,1-4H2;5-6H,1-4H2;1H4.

What are the key properties of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane?

2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane has a molecular weight of 1994.29 g/mol, XLogP of 26.98, 0 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tris(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 167546841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).