7-azabicyclo[4.3.1]decane

C9H17N — CID 22279972

About 7-azabicyclo[4.3.1]decane

7-azabicyclo[4.3.1]decane (PubChem CID 22279972) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 7-azabicyclo[4.3.1]decane.

Molecular Properties

• Compound Name: 7-azabicyclo[4.3.1]decane
• PubChem CID: 22279972
• Molecular Formula: C9H17N
• Molecular Weight: 139.24 g/mol
• Exact Mass: 139.14
• IUPAC Name: 7-azabicyclo[4.3.1]decane
• SMILES: C1CCC2CC(C1)CCN2
• InChI: InChI=1S/C9H17N/c1-2-4-9-7-8(3-1)5-6-10-9/h8-10H,1-7H2
• InChIKey: NQYKJNXNBVNAEA-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	139.24
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.3.1]decane?

The IUPAC name of 7-azabicyclo[4.3.1]decane (CID 22279972) is 7-azabicyclo[4.3.1]decane.

What is the SMILES notation for 7-azabicyclo[4.3.1]decane?

The canonical SMILES for 7-azabicyclo[4.3.1]decane is C1CCC2CC(C1)CCN2.

What is the InChIKey of 7-azabicyclo[4.3.1]decane?

The InChIKey is NQYKJNXNBVNAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-4-9-7-8(3-1)5-6-10-9/h8-10H,1-7H2.

What are the key properties of 7-azabicyclo[4.3.1]decane?

7-azabicyclo[4.3.1]decane has a molecular weight of 139.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-azabicyclo[4.3.1]decane is sourced from PubChem (CID 22279972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).