2-azabicyclo[5.1.1]nonane

C8H15N — CID 118209878

IUPAC2-azabicyclo[5.1.1]nonane
SMILESC1CCC2CC(C2)NC1
InChIInChI=1S/C8H15N/c1-2-4-9-8-5-7(3-1)6-8/h7-9H,1-6H2
InChIKeyBAIPSDXKBJTQKJ-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.54
Rot. Bonds

About 2-azabicyclo[5.1.1]nonane

2-azabicyclo[5.1.1]nonane (PubChem CID 118209878) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2-azabicyclo[5.1.1]nonane.

Molecular Properties

Compound Name2-azabicyclo[5.1.1]nonane
PubChem CID118209878
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2-azabicyclo[5.1.1]nonane
SMILESC1CCC2CC(C2)NC1
InChIInChI=1S/C8H15N/c1-2-4-9-8-5-7(3-1)6-8/h7-9H,1-6H2
InChIKeyBAIPSDXKBJTQKJ-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[5.1.1]nonane?
The IUPAC name of 2-azabicyclo[5.1.1]nonane (CID 118209878) is 2-azabicyclo[5.1.1]nonane.
What is the SMILES notation for 2-azabicyclo[5.1.1]nonane?
The canonical SMILES for 2-azabicyclo[5.1.1]nonane is C1CCC2CC(C2)NC1.
What is the InChIKey of 2-azabicyclo[5.1.1]nonane?
The InChIKey is BAIPSDXKBJTQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-4-9-8-5-7(3-1)6-8/h7-9H,1-6H2.
What are the key properties of 2-azabicyclo[5.1.1]nonane?
2-azabicyclo[5.1.1]nonane has a molecular weight of 125.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[5.1.1]nonane is sourced from PubChem (CID 118209878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).