2,3-diethyl-5-azoniaspiro[4.4]nonane

C12H24N+ — CID 20676420

IUPAC2,3-diethyl-5-azoniaspiro[4.4]nonane
SMILESCCC1C[N+]2(CCCC2)CC1CC
InChIInChI=1S/C12H24N/c1-3-11-9-13(7-5-6-8-13)10-12(11)4-2/h11-12H,3-10H2,1-2H3/q+1
InChIKeyIJGLWIIGWBCEBY-UHFFFAOYSA-N
MW182.33 g/mol
LogP2.66
Rot. Bonds2

About 2,3-diethyl-5-azoniaspiro[4.4]nonane

2,3-diethyl-5-azoniaspiro[4.4]nonane (PubChem CID 20676420) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is 2,3-diethyl-5-azoniaspiro[4.4]nonane.

Molecular Properties

Compound Name2,3-diethyl-5-azoniaspiro[4.4]nonane
PubChem CID20676420
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Name2,3-diethyl-5-azoniaspiro[4.4]nonane
SMILESCCC1C[N+]2(CCCC2)CC1CC
InChIInChI=1S/C12H24N/c1-3-11-9-13(7-5-6-8-13)10-12(11)4-2/h11-12H,3-10H2,1-2H3/q+1
InChIKeyIJGLWIIGWBCEBY-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.66
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 2,3-diethyl-5-azoniaspiro[4.4]nonane?
The IUPAC name of 2,3-diethyl-5-azoniaspiro[4.4]nonane (CID 20676420) is 2,3-diethyl-5-azoniaspiro[4.4]nonane.
What is the SMILES notation for 2,3-diethyl-5-azoniaspiro[4.4]nonane?
The canonical SMILES for 2,3-diethyl-5-azoniaspiro[4.4]nonane is CCC1C[N+]2(CCCC2)CC1CC.
What is the InChIKey of 2,3-diethyl-5-azoniaspiro[4.4]nonane?
The InChIKey is IJGLWIIGWBCEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N/c1-3-11-9-13(7-5-6-8-13)10-12(11)4-2/h11-12H,3-10H2,1-2H3/q+1.
What are the key properties of 2,3-diethyl-5-azoniaspiro[4.4]nonane?
2,3-diethyl-5-azoniaspiro[4.4]nonane has a molecular weight of 182.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-azoniaspiro[4.4]nonane is sourced from PubChem (CID 20676420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).