1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane

C38H68N4 — CID 158830559

About 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane

1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane (PubChem CID 158830559) has the molecular formula C38H68N4 and a molecular weight of 580.99 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane.

Molecular Properties

• Compound Name: 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane
• PubChem CID: 158830559
• Molecular Formula: C38H68N4
• Molecular Weight: 580.99 g/mol
• Exact Mass: 580.54
• IUPAC Name: 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane
• SMILES: C1CC2CC1C2.C1CC2CC1N2.C1CC2CCC1C2.C1CC2CCC1CN2.C1CN2CCC1C2.C1CN2CCC1CC2
• InChI: InChI=1S/2C7H13N.C7H12.C6H11N.C6H10.C5H9N/c1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-4-3-6(1)5-7;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-6;1-2-5-3-4(1)6-5/h7H,1-6H2;6-8H,1-5H2;6-7H,1-5H2;6H,1-5H2;5-6H,1-4H2;4-6H,1-3H2
• InChIKey: IWZJJCMAVJIRMX-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 30.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.99
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane?

The IUPAC name of 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane (CID 158830559) is 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane.

What is the SMILES notation for 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane?

The canonical SMILES for 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane is C1CC2CC1C2.C1CC2CC1N2.C1CC2CCC1C2.C1CC2CCC1CN2.C1CN2CCC1C2.C1CN2CCC1CC2.

What is the InChIKey of 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane?

The InChIKey is IWZJJCMAVJIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N.C7H12.C6H11N.C6H10.C5H9N/c1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-4-3-6(1)5-7;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-6;1-2-5-3-4(1)6-5/h7H,1-6H2;6-8H,1-5H2;6-7H,1-5H2;6H,1-5H2;5-6H,1-4H2;4-6H,1-3H2.

What are the key properties of 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane?

1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane has a molecular weight of 580.99 g/mol, XLogP of 7.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane is sourced from PubChem (CID 158830559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).