bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)

C74H139N9 — CID 157233278

About bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)

bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane) (PubChem CID 157233278) has the molecular formula C74H139N9 and a molecular weight of 1154.99 g/mol. Its IUPAC name is bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane).

Molecular Properties

• Compound Name: bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)
• PubChem CID: 157233278
• Molecular Formula: C74H139N9
• Molecular Weight: 1154.99 g/mol
• Exact Mass: 1154.12
• IUPAC Name: bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)
• SMILES: CC1C2CCC1N(C)C2.CC1C2CCC1N(C)C2.CC1CC2CC1CN2C.CC1CC2CC1CN2C.CC1CC2CC1N(C)C2.CC1CC2CC1N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC(C1)N2C.CC1CC2CCC1N2C
• InChI: InChI=1S/2C9H17N.7C8H15N/c2*1-7-5-8-3-4-9(6-7)10(8)2;2*1-6-3-8-4-7(6)5-9(8)2;2*1-6-3-7-4-8(6)9(2)5-7;2*1-6-7-3-4-8(6)9(2)5-7;1-6-5-7-3-4-8(6)9(7)2/h2*7-9H,3-6H2,1-2H3;7*6-8H,3-5H2,1-2H3
• InChIKey: AUIRIJNBQLAFAP-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1154.99
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)?

The IUPAC name of bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane) (CID 157233278) is bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane).

What is the SMILES notation for bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)?

The canonical SMILES for bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane) is CC1C2CCC1N(C)C2.CC1C2CCC1N(C)C2.CC1CC2CC1CN2C.CC1CC2CC1CN2C.CC1CC2CC1N(C)C2.CC1CC2CC1N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC(C1)N2C.CC1CC2CCC1N2C.

What is the InChIKey of bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)?

The InChIKey is AUIRIJNBQLAFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N.7C8H15N/c2*1-7-5-8-3-4-9(6-7)10(8)2;2*1-6-3-8-4-7(6)5-9(8)2;2*1-6-3-7-4-8(6)9(2)5-7;2*1-6-7-3-4-8(6)9(2)5-7;1-6-5-7-3-4-8(6)9(7)2/h2*7-9H,3-6H2,1-2H3;7*6-8H,3-5H2,1-2H3.

What are the key properties of bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)?

bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane) has a molecular weight of 1154.99 g/mol, XLogP of 13.33, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane) is sourced from PubChem (CID 157233278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).