ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine

C34H73N3 — CID 159592269

About ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine

ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine (PubChem CID 159592269) has the molecular formula C34H73N3 and a molecular weight of 523.98 g/mol. Its IUPAC name is ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
• PubChem CID: 159592269
• Molecular Formula: C34H73N3
• Molecular Weight: 523.98 g/mol
• Exact Mass: 523.58
• IUPAC Name: ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
• SMILES: CC.CC.CC.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCCCC1
• InChI: InChI=1S/2C10H19N.C8H17N.3C2H6/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-8(2)9-6-4-3-5-7-9;3*1-2/h2*8-10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3*1-2H3
• InChIKey: MKJUQBZTJDREAV-UHFFFAOYSA-N
• XLogP: 9.50
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.98
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine?

The IUPAC name of ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine (CID 159592269) is ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine.

What is the SMILES notation for ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine?

The canonical SMILES for ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine is CC.CC.CC.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCCCC1.

What is the InChIKey of ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine?

The InChIKey is MKJUQBZTJDREAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.C8H17N.3C2H6/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-8(2)9-6-4-3-5-7-9;3*1-2/h2*8-10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3*1-2H3.

What are the key properties of ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine?

ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine has a molecular weight of 523.98 g/mol, XLogP of 9.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine is sourced from PubChem (CID 159592269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).