3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C69H127N9 — CID 162166370

About 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 162166370) has the molecular formula C69H127N9 and a molecular weight of 1082.84 g/mol. Its IUPAC name is 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
• PubChem CID: 162166370
• Molecular Formula: C69H127N9
• Molecular Weight: 1082.84 g/mol
• Exact Mass: 1082.02
• IUPAC Name: 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
• SMILES: C1CC2CC1CN2.C1CC2CCC(C1)CNC2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1
• InChI: InChI=1S/C10H17N.C10H19N.C9H17N.4C7H13N.2C6H11N/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;1-2-8-4-5-9(3-1)7-10-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6/h7-11H,1-6H2;8,11H,4-7H2,1-3H3;8-10H,1-7H2;4*6-8H,1-5H2;2*5-7H,1-4H2
• InChIKey: ZNELMWOSULDBAQ-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 108.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1082.84
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?

The IUPAC name of 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (CID 162166370) is 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.

What is the SMILES notation for 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?

The canonical SMILES for 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is C1CC2CC1CN2.C1CC2CCC(C1)CNC2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.

What is the InChIKey of 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?

The InChIKey is ZNELMWOSULDBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C10H19N.C9H17N.4C7H13N.2C6H11N/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;1-2-8-4-5-9(3-1)7-10-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6/h7-11H,1-6H2;8,11H,4-7H2,1-3H3;8-10H,1-7H2;4*6-8H,1-5H2;2*5-7H,1-4H2.

What are the key properties of 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?

3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 1082.84 g/mol, XLogP of 12.00, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 162166370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).