1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane

C57H107N11 — CID 160790690

About 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane

1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane (PubChem CID 160790690) has the molecular formula C57H107N11 and a molecular weight of 946.56 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane
• PubChem CID: 160790690
• Molecular Formula: C57H107N11
• Molecular Weight: 946.56 g/mol
• Exact Mass: 945.87
• IUPAC Name: 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane
• SMILES: C1CC2CC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CNCC1C2.C1CC2CNCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1NCC2CC1C2.C1NCC2CC1N2
• InChI: InChI=1S/4C7H13N.C6H12N2.3C6H11N.C5H10N2/c1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-2-6-4-7-3-5(1)8-6;1-5-2-6(1)4-7-3-5;1-3-7-4-2-6(1)5-7;1-2-5-4-6(3-1)7-5;1-4-2-6-3-5(1)7-4/h7H,1-6H2;3*6-8H,1-5H2;5-8H,1-4H2;5-7H,1-4H2;6H,1-5H2;5-7H,1-4H2;4-7H,1-3H2
• InChIKey: SBUDAZWGQYAKJH-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 114.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	946.56
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane?

The IUPAC name of 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane (CID 160790690) is 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane.

What is the SMILES notation for 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane?

The canonical SMILES for 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane is C1CC2CC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CNCC1C2.C1CC2CNCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1NCC2CC1C2.C1NCC2CC1N2.

What is the InChIKey of 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane?

The InChIKey is SBUDAZWGQYAKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H13N.C6H12N2.3C6H11N.C5H10N2/c1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-2-6-4-7-3-5(1)8-6;1-5-2-6(1)4-7-3-5;1-3-7-4-2-6(1)5-7;1-2-5-4-6(3-1)7-5;1-4-2-6-3-5(1)7-4/h7H,1-6H2;3*6-8H,1-5H2;5-8H,1-4H2;5-7H,1-4H2;6H,1-5H2;5-7H,1-4H2;4-7H,1-3H2.

What are the key properties of 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane?

1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane has a molecular weight of 946.56 g/mol, XLogP of 5.81, 0 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 160790690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).