bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane

C87H161N11 — CID 157455401

About bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane

bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane (PubChem CID 157455401) has the molecular formula C87H161N11 and a molecular weight of 1361.32 g/mol. Its IUPAC name is bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane.

Molecular Properties

• Compound Name: bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane
• PubChem CID: 157455401
• Molecular Formula: C87H161N11
• Molecular Weight: 1361.32 g/mol
• Exact Mass: 1360.29
• IUPAC Name: bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane
• SMILES: CC12CC3CNC(CC(C3)C1)C2.CC1C2CCC1NC2.CC1CC2CC1CN2.CC1CC2CC1CN2.CC1CC2CCC(C1)N2.CC1CC2CCC1CNC2.CC1CC2CNC(C1)C2.CC1CC2CNC1C2.CC1CC2CNC1C2.CC1CCC2CC1CN2.CC1CCC2CNC1C2
• InChI: InChI=1S/C11H19N.C9H17N.4C8H15N.5C7H13N/c1-11-4-8-2-9(5-11)7-12-10(3-8)6-11;1-7-4-8-2-3-9(7)6-10-5-8;1-6-2-7-4-8(3-6)9-5-7;1-6-4-7-2-3-8(5-6)9-7;1-6-2-3-8-4-7(6)5-9-8;1-6-2-3-7-4-8(6)9-5-7;2*1-5-2-7-3-6(5)4-8-7;2*1-5-2-6-3-7(5)8-4-6;1-5-6-2-3-7(5)8-4-6/h8-10,12H,2-7H2,1H3;7-10H,2-6H2,1H3;4*6-9H,2-5H2,1H3;5*5-8H,2-4H2,1H3
• InChIKey: BTHHRZYBSABLGS-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 132.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1361.32
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane?

The IUPAC name of bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane (CID 157455401) is bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane.

What is the SMILES notation for bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane?

The canonical SMILES for bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane is CC12CC3CNC(CC(C3)C1)C2.CC1C2CCC1NC2.CC1CC2CC1CN2.CC1CC2CC1CN2.CC1CC2CCC(C1)N2.CC1CC2CCC1CNC2.CC1CC2CNC(C1)C2.CC1CC2CNC1C2.CC1CC2CNC1C2.CC1CCC2CC1CN2.CC1CCC2CNC1C2.

What is the InChIKey of bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane?

The InChIKey is BTHHRZYBSABLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.C9H17N.4C8H15N.5C7H13N/c1-11-4-8-2-9(5-11)7-12-10(3-8)6-11;1-7-4-8-2-3-9(7)6-10-5-8;1-6-2-7-4-8(3-6)9-5-7;1-6-4-7-2-3-8(5-6)9-7;1-6-2-3-8-4-7(6)5-9-8;1-6-2-3-7-4-8(6)9-5-7;2*1-5-2-7-3-6(5)4-8-7;2*1-5-2-6-3-7(5)8-4-6;1-5-6-2-3-7(5)8-4-6/h8-10,12H,2-7H2,1H3;7-10H,2-6H2,1H3;4*6-9H,2-5H2,1H3;5*5-8H,2-4H2,1H3.

What are the key properties of bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane?

bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane has a molecular weight of 1361.32 g/mol, XLogP of 14.56, 0 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 157455401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).