2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one

C₁₁H₂₀N₂O — CID 131064846

About 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one

2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one (PubChem CID 131064846) has the molecular formula C₁₁H₂₀N₂O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

• Compound Name: 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one
• PubChem CID: 131064846
• Molecular Formula: C₁₁H₂₀N₂O
• Molecular Weight: 196.29 g/mol
• Exact Mass: 196.16
• IUPAC Name: 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one
• SMILES: CC(CN)CN1C(=O)C2CCC1CC2
• InChI: InChI=1S/C11H20N2O/c1-8(6-12)7-13-10-4-2-9(3-5-10)11(13)14/h8-10H,2-7,12H2,1H3
• InChIKey: WERNLRIJOHPZTR-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 46.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.29
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one?

The IUPAC name of 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one (CID 131064846) is 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one.

What is the SMILES notation for 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one?

The canonical SMILES for 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one is CC(CN)CN1C(=O)C2CCC1CC2.

What is the InChIKey of 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one?

The InChIKey is WERNLRIJOHPZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(6-12)7-13-10-4-2-9(3-5-10)11(13)14/h8-10H,2-7,12H2,1H3.

What are the key properties of 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one?

2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one has a molecular weight of 196.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-2-methylpropyl)-2-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 131064846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131064846 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.