6-methyl-6-azabicyclo[3.2.2]nonane

C9H17N — CID 12702546

IUPAC6-methyl-6-azabicyclo[3.2.2]nonane
SMILESCN1CC2CCCC1CC2
InChIInChI=1S/C9H17N/c1-10-7-8-3-2-4-9(10)6-5-8/h8-9H,2-7H2,1H3
InChIKeySTOZDXOCULFFEH-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About 6-methyl-6-azabicyclo[3.2.2]nonane

6-methyl-6-azabicyclo[3.2.2]nonane (PubChem CID 12702546) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-methyl-6-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6-methyl-6-azabicyclo[3.2.2]nonane
PubChem CID12702546
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-methyl-6-azabicyclo[3.2.2]nonane
SMILESCN1CC2CCCC1CC2
InChIInChI=1S/C9H17N/c1-10-7-8-3-2-4-9(10)6-5-8/h8-9H,2-7H2,1H3
InChIKeySTOZDXOCULFFEH-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-azabicyclo[3.2.2]nonane?
The IUPAC name of 6-methyl-6-azabicyclo[3.2.2]nonane (CID 12702546) is 6-methyl-6-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 6-methyl-6-azabicyclo[3.2.2]nonane?
The canonical SMILES for 6-methyl-6-azabicyclo[3.2.2]nonane is CN1CC2CCCC1CC2.
What is the InChIKey of 6-methyl-6-azabicyclo[3.2.2]nonane?
The InChIKey is STOZDXOCULFFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10-7-8-3-2-4-9(10)6-5-8/h8-9H,2-7H2,1H3.
What are the key properties of 6-methyl-6-azabicyclo[3.2.2]nonane?
6-methyl-6-azabicyclo[3.2.2]nonane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 12702546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).