2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane

C63H117N9 — CID 159107883

About 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane

2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane (PubChem CID 159107883) has the molecular formula C63H117N9 and a molecular weight of 1000.69 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

• Compound Name: 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane
• PubChem CID: 159107883
• Molecular Formula: C63H117N9
• Molecular Weight: 1000.69 g/mol
• Exact Mass: 999.94
• IUPAC Name: 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane
• SMILES: C1CC2CC1CN2.C1CC2CCC(C1)C2.C1CC2CCC1CN2.C1CC2CCCC(C1)C2.C1CC2CNCC1C2.C1CC2CNCC1C2.C1CN2CCC1CC2.C1NC2CNC1C2.C1NCC2CNCC1C2
• InChI: InChI=1S/C9H16.C8H14.C7H14N2.4C7H13N.C6H11N.C5H10N2/c1-3-8-5-2-6-9(4-1)7-8;1-2-7-4-5-8(3-1)6-7;1-6-2-8-4-7(1)5-9-3-6;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;2*1-2-7-3-6(1)4-8-5-7;1-2-6-3-5(1)4-7-6;1-4-2-6-5(1)3-7-4/h8-9H,1-7H2;7-8H,1-6H2;6-9H,1-5H2;7H,1-6H2;3*6-8H,1-5H2;5-7H,1-4H2;4-7H,1-3H2
• InChIKey: KECSPBJTDLFJMN-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 99.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1000.69
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane?

The IUPAC name of 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane (CID 159107883) is 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane.

What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane?

The canonical SMILES for 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane is C1CC2CC1CN2.C1CC2CCC(C1)C2.C1CC2CCC1CN2.C1CC2CCCC(C1)C2.C1CC2CNCC1C2.C1CC2CNCC1C2.C1CN2CCC1CC2.C1NC2CNC1C2.C1NCC2CNCC1C2.

What is the InChIKey of 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane?

The InChIKey is KECSPBJTDLFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C8H14.C7H14N2.4C7H13N.C6H11N.C5H10N2/c1-3-8-5-2-6-9(4-1)7-8;1-2-7-4-5-8(3-1)6-7;1-6-2-8-4-7(1)5-9-3-6;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;2*1-2-7-3-6(1)4-8-5-7;1-2-6-3-5(1)4-7-6;1-4-2-6-5(1)3-7-4/h8-9H,1-7H2;7-8H,1-6H2;6-9H,1-5H2;7H,1-6H2;3*6-8H,1-5H2;5-7H,1-4H2;4-7H,1-3H2.

What are the key properties of 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane?

2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 1000.69 g/mol, XLogP of 9.72, 0 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 159107883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).