3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane

C10H20N+ — CID 74031730

IUPAC3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane
SMILESC[N+]1(C)CC2CCCC(C2)C1
InChIInChI=1S/C10H20N/c1-11(2)7-9-4-3-5-10(6-9)8-11/h9-10H,3-8H2,1-2H3/q+1
InChIKeyRUBJVZCGBDBAOJ-UHFFFAOYSA-N
MW154.28 g/mol
LogP1.88
Rot. Bonds

About 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane

3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane (PubChem CID 74031730) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane
PubChem CID74031730
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane
SMILESC[N+]1(C)CC2CCCC(C2)C1
InChIInChI=1S/C10H20N/c1-11(2)7-9-4-3-5-10(6-9)8-11/h9-10H,3-8H2,1-2H3/q+1
InChIKeyRUBJVZCGBDBAOJ-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane?
The IUPAC name of 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane (CID 74031730) is 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane?
The canonical SMILES for 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane is C[N+]1(C)CC2CCCC(C2)C1.
What is the InChIKey of 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane?
The InChIKey is RUBJVZCGBDBAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N/c1-11(2)7-9-4-3-5-10(6-9)8-11/h9-10H,3-8H2,1-2H3/q+1.
What are the key properties of 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane?
3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane has a molecular weight of 154.28 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-3-azoniabicyclo[3.3.1]nonane is sourced from PubChem (CID 74031730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).