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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane

C82H143N9O2 — CID 158443453

About 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane

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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane (PubChem CID 158443453) has the molecular formula C82H143N9O2 and a molecular weight of 1287.11 g/mol. Its IUPAC name is 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane
• PubChem CID: 158443453
• Molecular Formula: C82H143N9O2
• Molecular Weight: 1287.11 g/mol
• Exact Mass: 1286.14
• IUPAC Name: 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane
• SMILES: C.C1=CC2CCCC1N2.C1CC2CCC(C1)C2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CCC(C2)N1.C1CC2CCN(C1)C2.C1CC2CNC(C1)C2.C1CN2CCC(C2)O1.c1ccc2c(c1)C1CCC2NC1
• InChI: InChI=1S/C11H13N.C8H14.6C7H13N.C7H11N.C7H12O.C6H11NO.CH4/c1-2-4-10-9(3-1)8-5-6-11(10)12-7-8;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;5*1-2-6-4-5-7(3-1)8-6;1-2-7-3-4-8-6(1)5-7;/h1-4,8,11-12H,5-7H2;7-8H,1-6H2;6-8H,1-5H2;7H,1-6H2;4*6-8H,1-5H2;4-8H,1-3H2;6-7H,1-5H2;6H,1-5H2;1H4
• InChIKey: HDCGNLGERNTOKR-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 109.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1287.11
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane?

The IUPAC name of 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane (CID 158443453) is 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane.

What is the SMILES notation for 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane?

The canonical SMILES for 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane is C.C1=CC2CCCC1N2.C1CC2CCC(C1)C2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CCC(C2)N1.C1CC2CCN(C1)C2.C1CC2CNC(C1)C2.C1CN2CCC(C2)O1.c1ccc2c(c1)C1CCC2NC1.

What is the InChIKey of 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane?

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

What are the key properties of 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane?

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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane has a molecular weight of 1287.11 g/mol, XLogP of 15.58, 0 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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[3.2.1]octane;methane;4-oxa-1-azabicyclo[3.2.1]octane;8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 158443453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).