3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)

C205H397N15 — CID 165022110

About 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)

3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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 165022110) has the molecular formula C205H397N15 and a molecular weight of 3072.54 g/mol. Its IUPAC name is 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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: 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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: 165022110
• Molecular Formula: C205H397N15
• Molecular Weight: 3072.54 g/mol
• Exact Mass: 3070.15
• IUPAC Name: 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(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/2C16H30.5C15H29N.C15H28.3C14H28N2.2C14H27N.C13H26N2/c2*1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;2*1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-14(2,3)13-9-12-8-7-11(13)10-16(12)15(4,5)6;2*1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;1-14(2,3)12-8-10-7-11(9-12)13(10)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)15-9-11-7-8-12(10-15)16(11)14(4,5)6;1-13(2,3)12-10-7-11(12)9-15(8-10)14(4,5)6;1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6/h2*11-14H,7-10H2,1-6H3;5*11-13H,7-10H2,1-6H3;10-13H,7-9H2,1-6H3;3*11-12H,7-10H2,1-6H3;2*10-12H,7-9H2,1-6H3;10-11H,7-9H2,1-6H3
• InChIKey: LHWXZGSUAWIMLA-UHFFFAOYSA-N
• XLogP: 52.28
• TPSA: 48.60 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3072.54
LogP ≤ 5	52.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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 165022110) is 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(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 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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 LHWXZGSUAWIMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H30.5C15H29N.C15H28.3C14H28N2.2C14H27N.C13H26N2/c2*1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;2*1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-14(2,3)13-9-12-8-7-11(13)10-16(12)15(4,5)6;2*1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;1-14(2,3)12-8-10-7-11(9-12)13(10)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)15-9-11-7-8-12(10-15)16(11)14(4,5)6;1-13(2,3)12-10-7-11(12)9-15(8-10)14(4,5)6;1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6/h2*11-14H,7-10H2,1-6H3;5*11-13H,7-10H2,1-6H3;10-13H,7-9H2,1-6H3;3*11-12H,7-10H2,1-6H3;2*10-12H,7-9H2,1-6H3;10-11H,7-9H2,1-6H3.

What are the key properties of 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?

3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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 3072.54 g/mol, XLogP of 52.28, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]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 165022110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).