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

C134H258N8 — CID 164983367

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

bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane (PubChem CID 164983367) has the molecular formula C134H258N8 and a molecular weight of 1981.59 g/mol. Its IUPAC name is bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

• Compound Name: bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane
• PubChem CID: 164983367
• Molecular Formula: C134H258N8
• Molecular Weight: 1981.59 g/mol
• Exact Mass: 1980.04
• IUPAC Name: bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane
• SMILES: CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC1CC2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C
• InChI: InChI=1S/2C16H30.4C15H29N.C14H28N2.2C14H27N/c1-15(2,3)13-9-12-8-7-11(13)10-14(12)16(4,5)6;1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;2*1-14(2,3)13-9-12-8-7-11(13)10-16(12)15(4,5)6;1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6/h2*11-14H,7-10H2,1-6H3;4*11-13H,7-10H2,1-6H3;11-12H,7-10H2,1-6H3;2*10-12H,7-9H2,1-6H3
• InChIKey: FURZZMCGFJSENJ-UHFFFAOYSA-N
• XLogP: 35.80
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1981.59
LogP ≤ 5	35.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane (CID 164983367) is bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane.

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

The canonical SMILES for bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane is CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC1CC2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C.

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

The InChIKey is FURZZMCGFJSENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H30.4C15H29N.C14H28N2.2C14H27N/c1-15(2,3)13-9-12-8-7-11(13)10-14(12)16(4,5)6;1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;2*1-14(2,3)13-9-12-8-7-11(13)10-16(12)15(4,5)6;1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6/h2*11-14H,7-10H2,1-6H3;4*11-13H,7-10H2,1-6H3;11-12H,7-10H2,1-6H3;2*10-12H,7-9H2,1-6H3.

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

bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 1981.59 g/mol, XLogP of 35.80, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 164983367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).