2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane

C104H183N15O3 — CID 160811847

About 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane

2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane (PubChem CID 160811847) has the molecular formula C104H183N15O3 and a molecular weight of 1691.71 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane
• PubChem CID: 160811847
• Molecular Formula: C104H183N15O3
• Molecular Weight: 1691.71 g/mol
• Exact Mass: 1690.46
• IUPAC Name: 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane
• SMILES: C1=CC2CCCC1N2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C2)N1.C1CC2CCC1CN2.C1CC2CCN(C1)C2.C1CC2CCN(C1)O2.C1CC2CNC(C1)C2.C1CC2CNC1CO2.C1CC2CNCC1C2.C1CN2CCC(C2)O1.C1NCC2CC1C2.c1ccc2c(c1)C1CCC2NC1
• InChI: InChI=1S/C11H13N.8C7H13N.C7H11N.3C6H11NO.2C6H11N/c1-2-4-10-9(3-1)8-5-6-11(10)12-7-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;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;1-2-6-3-7-5(1)4-8-6;1-2-7-3-4-8-6(1)5-7;1-2-6-3-5-7(4-1)8-6;1-5-2-6(1)4-7-3-5;1-2-6-3-5(1)4-7-6/h1-4,8,11-12H,5-7H2;3*6-8H,1-5H2;7H,1-6H2;4*6-8H,1-5H2;4-8H,1-3H2;5-7H,1-4H2;2*6H,1-5H2;2*5-7H,1-4H2
• InChIKey: SEJXNHGQXXTHTA-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 181.77 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1691.71
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

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;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane?

The IUPAC name of 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane (CID 160811847) is 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane.

What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane?

The canonical SMILES for 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane is C1=CC2CCCC1N2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C2)N1.C1CC2CCC1CN2.C1CC2CCN(C1)C2.C1CC2CCN(C1)O2.C1CC2CNC(C1)C2.C1CC2CNC1CO2.C1CC2CNCC1C2.C1CN2CCC(C2)O1.C1NCC2CC1C2.c1ccc2c(c1)C1CCC2NC1.

What is the InChIKey of 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane?

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

What are the key properties of 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane?

2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane has a molecular weight of 1691.71 g/mol, XLogP of 15.09, 0 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[3.2.1]octane;3-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;2-oxa-5-azabicyclo[2.2.2]octane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxa-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 160811847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).