3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)

C91H185N11 — CID 164989429

About 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)

3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) (PubChem CID 164989429) has the molecular formula C91H185N11 and a molecular weight of 1433.56 g/mol. Its IUPAC name is 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine).

Molecular Properties

• Compound Name: 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
• PubChem CID: 164989429
• Molecular Formula: C91H185N11
• Molecular Weight: 1433.56 g/mol
• Exact Mass: 1432.48
• IUPAC Name: 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
• SMILES: CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C14H27N.3C13H26N2.2C13H27N.C12H26N2/c1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;2*1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h10-12H,7-9H2,1-6H3;3*10-11H,7-9H2,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3
• InChIKey: GQJLGXFNKYEPJG-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 35.64 Ų
• H-Bond Acceptors: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.56
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?

The IUPAC name of 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) (CID 164989429) is 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine).

What is the SMILES notation for 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?

The canonical SMILES for 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) is CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.

What is the InChIKey of 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?

The InChIKey is GQJLGXFNKYEPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.3C13H26N2.2C13H27N.C12H26N2/c1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;2*1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h10-12H,7-9H2,1-6H3;3*10-11H,7-9H2,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3.

What are the key properties of 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?

3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) has a molecular weight of 1433.56 g/mol, XLogP of 20.00, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) is sourced from PubChem (CID 164989429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).