tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine

C106H202N6 — CID 167703631

About tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine

tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine (PubChem CID 167703631) has the molecular formula C106H202N6 and a molecular weight of 1560.82 g/mol. Its IUPAC name is tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine.

Molecular Properties

• Compound Name: tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine
• PubChem CID: 167703631
• Molecular Formula: C106H202N6
• Molecular Weight: 1560.82 g/mol
• Exact Mass: 1559.60
• IUPAC Name: tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine
• SMILES: CC(C)(C)C1C2CCCC1CC2.CC(C)(C)C1CC2CCC(C2)C1.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCCC1.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCCCC1
• InChI: InChI=1S/2C12H22.2C11H21N.C11H20.3C10H19N.C10H20.C9H19N/c1-12(2,3)11-7-9-4-5-10(6-9)8-11;1-12(2,3)11-9-5-4-6-10(11)8-7-9;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;1-11(2,3)10-7-8-4-5-9(10)6-8;3*1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10/h2*9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;3*8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3
• InChIKey: YTRYVMUYQZSJFC-UHFFFAOYSA-N
• XLogP: 29.20
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1560.82
LogP ≤ 5	29.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine?

The IUPAC name of tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine (CID 167703631) is tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine.

What is the SMILES notation for tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine?

The canonical SMILES for tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine is CC(C)(C)C1C2CCCC1CC2.CC(C)(C)C1CC2CCC(C2)C1.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCCC1.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCCCC1.

What is the InChIKey of tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine?

The InChIKey is YTRYVMUYQZSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22.2C11H21N.C11H20.3C10H19N.C10H20.C9H19N/c1-12(2,3)11-7-9-4-5-10(6-9)8-11;1-12(2,3)11-9-5-4-6-10(11)8-7-9;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;1-11(2,3)10-7-8-4-5-9(10)6-8;3*1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10/h2*9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;3*8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3.

What are the key properties of tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine?

tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine has a molecular weight of 1560.82 g/mol, XLogP of 29.20, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine is sourced from PubChem (CID 167703631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).