bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane

C101H223N7 — CID 167664587

About bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane

bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane (PubChem CID 167664587) has the molecular formula C101H223N7 and a molecular weight of 1535.94 g/mol. Its IUPAC name is bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane.

Molecular Properties

• Compound Name: bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
• PubChem CID: 167664587
• Molecular Formula: C101H223N7
• Molecular Weight: 1535.94 g/mol
• Exact Mass: 1534.77
• IUPAC Name: bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)N1CC2CCC1CC2
• InChI: InChI=1S/3C11H21N.4C10H19N.14C2H6/c1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-6-8-4-9(5-8)7-11;2*1-10(2,3)11-7-8-4-5-9(11)6-8;1-8(2)11-7-9-3-5-10(11)6-4-9;14*1-2/h3*9-10H,4-8H2,1-3H3;3*8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;14*1-2H3
• InChIKey: SLCUXHAAYUHGET-UHFFFAOYSA-N
• XLogP: 31.28
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1535.94
LogP ≤ 5	31.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane?

The IUPAC name of bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane (CID 167664587) is bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane.

What is the SMILES notation for bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane?

The canonical SMILES for bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)N1CC2CCC1CC2.

What is the InChIKey of bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane?

The InChIKey is SLCUXHAAYUHGET-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H21N.4C10H19N.14C2H6/c1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-6-8-4-9(5-8)7-11;2*1-10(2,3)11-7-8-4-5-9(11)6-8;1-8(2)11-7-9-3-5-10(11)6-4-9;14*1-2/h3*9-10H,4-8H2,1-3H3;3*8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;14*1-2H3.

What are the key properties of bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane?

bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane has a molecular weight of 1535.94 g/mol, XLogP of 31.28, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 167664587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).