3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane

C62H115N7 — CID 158558851

About 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane

3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 158558851) has the molecular formula C62H115N7 and a molecular weight of 958.65 g/mol. Its IUPAC name is 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
• PubChem CID: 158558851
• Molecular Formula: C62H115N7
• Molecular Weight: 958.65 g/mol
• Exact Mass: 957.92
• IUPAC Name: 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
• SMILES: C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C
• InChI: InChI=1S/C10H17N.3C10H19N.C8H15N.2C7H13N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-9(2)8-4-5-10(9,3)7-11-6-8;1-9(2)8-5-4-6-10(9,3)7-11-8;1-2-8-4-3-7(1)5-9-6-8;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6/h7-11H,1-6H2;3*8,11H,4-7H2,1-3H3;7-9H,1-6H2;2*6-8H,1-5H2
• InChIKey: HQQATVJOGDDSNV-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 84.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	958.65
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?

The IUPAC name of 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane (CID 158558851) is 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane.

What is the SMILES notation for 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?

The canonical SMILES for 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane is C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C.

What is the InChIKey of 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?

The InChIKey is HQQATVJOGDDSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.3C10H19N.C8H15N.2C7H13N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-9(2)8-4-5-10(9,3)7-11-6-8;1-9(2)8-5-4-6-10(9,3)7-11-8;1-2-8-4-3-7(1)5-9-6-8;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6/h7-11H,1-6H2;3*8,11H,4-7H2,1-3H3;7-9H,1-6H2;2*6-8H,1-5H2.

What are the key properties of 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?

3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 958.65 g/mol, XLogP of 11.72, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 158558851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).