bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)

C68H136N10 — CID 165011840

About bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)

bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) (PubChem CID 165011840) has the molecular formula C68H136N10 and a molecular weight of 1093.91 g/mol. Its IUPAC name is bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane).

Molecular Properties

• Compound Name: bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
• PubChem CID: 165011840
• Molecular Formula: C68H136N10
• Molecular Weight: 1093.91 g/mol
• Exact Mass: 1093.09
• IUPAC Name: bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
• SMILES: CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C
• InChI: InChI=1S/3C14H28N2.2C13H26N2/c1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6/h3*11-12H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3
• InChIKey: JVBUCSOHPAIMCB-UHFFFAOYSA-N
• XLogP: 12.88
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.91
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?

The IUPAC name of bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) (CID 165011840) is bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane).

What is the SMILES notation for bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?

The canonical SMILES for bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) is CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C.

What is the InChIKey of bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?

The InChIKey is JVBUCSOHPAIMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H28N2.2C13H26N2/c1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6/h3*11-12H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3.

What are the key properties of bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?

bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) has a molecular weight of 1093.91 g/mol, XLogP of 12.88, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) is sourced from PubChem (CID 165011840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).