8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane

C11H20N+ — CID 123258991

IUPAC8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane
SMILESC=[N+]1CCC2(CC2)CC(CC)C1
InChIInChI=1S/C11H20N/c1-3-10-8-11(4-5-11)6-7-12(2)9-10/h10H,2-9H2,1H3/q+1
InChIKeyXKBNUHSOQSSQQA-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.30
Rot. Bonds1

About 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane

8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane (PubChem CID 123258991) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane.

Molecular Properties

Compound Name8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane
PubChem CID123258991
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane
SMILESC=[N+]1CCC2(CC2)CC(CC)C1
InChIInChI=1S/C11H20N/c1-3-10-8-11(4-5-11)6-7-12(2)9-10/h10H,2-9H2,1H3/q+1
InChIKeyXKBNUHSOQSSQQA-UHFFFAOYSA-N
XLogP2.30
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane?
The IUPAC name of 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane (CID 123258991) is 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane.
What is the SMILES notation for 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane?
The canonical SMILES for 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane is C=[N+]1CCC2(CC2)CC(CC)C1.
What is the InChIKey of 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane?
The InChIKey is XKBNUHSOQSSQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-3-10-8-11(4-5-11)6-7-12(2)9-10/h10H,2-9H2,1H3/q+1.
What are the key properties of 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane?
8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane has a molecular weight of 166.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane is sourced from PubChem (CID 123258991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).