3-methyl-3-azoniabicyclo[3.2.2]nonane

C9H18N+ — CID 140769750

IUPAC3-methyl-3-azoniabicyclo[3.2.2]nonane
SMILESC[NH+]1CC2CCC(CC2)C1
InChIInChI=1S/C9H17N/c1-10-6-8-2-3-9(7-10)5-4-8/h8-9H,2-7H2,1H3/p+1
InChIKeyVYMQLQVLMDEDRO-UHFFFAOYSA-O
MW140.25 g/mol
LogP0.32
Rot. Bonds

About 3-methyl-3-azoniabicyclo[3.2.2]nonane

3-methyl-3-azoniabicyclo[3.2.2]nonane (PubChem CID 140769750) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is 3-methyl-3-azoniabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3-methyl-3-azoniabicyclo[3.2.2]nonane
PubChem CID140769750
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Name3-methyl-3-azoniabicyclo[3.2.2]nonane
SMILESC[NH+]1CC2CCC(CC2)C1
InChIInChI=1S/C9H17N/c1-10-6-8-2-3-9(7-10)5-4-8/h8-9H,2-7H2,1H3/p+1
InChIKeyVYMQLQVLMDEDRO-UHFFFAOYSA-O
XLogP0.32
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azoniabicyclo[3.2.2]nonane?
The IUPAC name of 3-methyl-3-azoniabicyclo[3.2.2]nonane (CID 140769750) is 3-methyl-3-azoniabicyclo[3.2.2]nonane.
What is the SMILES notation for 3-methyl-3-azoniabicyclo[3.2.2]nonane?
The canonical SMILES for 3-methyl-3-azoniabicyclo[3.2.2]nonane is C[NH+]1CC2CCC(CC2)C1.
What is the InChIKey of 3-methyl-3-azoniabicyclo[3.2.2]nonane?
The InChIKey is VYMQLQVLMDEDRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N/c1-10-6-8-2-3-9(7-10)5-4-8/h8-9H,2-7H2,1H3/p+1.
What are the key properties of 3-methyl-3-azoniabicyclo[3.2.2]nonane?
3-methyl-3-azoniabicyclo[3.2.2]nonane has a molecular weight of 140.25 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azoniabicyclo[3.2.2]nonane is sourced from PubChem (CID 140769750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).