2,3-diethyl-5-azoniaspiro[4.5]decane

C13H26N+ — CID 20676422

IUPAC2,3-diethyl-5-azoniaspiro[4.5]decane
SMILESCCC1C[N+]2(CCCCC2)CC1CC
InChIInChI=1S/C13H26N/c1-3-12-10-14(11-13(12)4-2)8-6-5-7-9-14/h12-13H,3-11H2,1-2H3/q+1
InChIKeyISDZPKQINPVUKN-UHFFFAOYSA-N
MW196.36 g/mol
LogP3.05
Rot. Bonds2

About 2,3-diethyl-5-azoniaspiro[4.5]decane

2,3-diethyl-5-azoniaspiro[4.5]decane (PubChem CID 20676422) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is 2,3-diethyl-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name2,3-diethyl-5-azoniaspiro[4.5]decane
PubChem CID20676422
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Name2,3-diethyl-5-azoniaspiro[4.5]decane
SMILESCCC1C[N+]2(CCCCC2)CC1CC
InChIInChI=1S/C13H26N/c1-3-12-10-14(11-13(12)4-2)8-6-5-7-9-14/h12-13H,3-11H2,1-2H3/q+1
InChIKeyISDZPKQINPVUKN-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.05
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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Related Compounds

2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
CID 20676421
4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
CID 20676438
2,4-dimethyl-6-azoniaspiro[5.5]undecane bromide
CID 171336385
4-azoniaspiro[3.5]nonan-2-ol chloride
CID 658522
3,4-bis[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1,1-dimethylpyrrolidin-1-ium
CID 58611498
3,4-diethyl-1,1-dipropylpyrrolidin-1-ium
CID 20730088
7,8-diethyl-1,1-dimethylcyclotridecane
CID 123809995
3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane
CID 162288883
4-azoniaspiro[3.5]nonane bromide
CID 120999991
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
CID 160611346
CID 160611346
3,5-dimethyl-7-azoniaspiro[6.6]tridecane
CID 121380526

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-azoniaspiro[4.5]decane?
The IUPAC name of 2,3-diethyl-5-azoniaspiro[4.5]decane (CID 20676422) is 2,3-diethyl-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 2,3-diethyl-5-azoniaspiro[4.5]decane?
The canonical SMILES for 2,3-diethyl-5-azoniaspiro[4.5]decane is CCC1C[N+]2(CCCCC2)CC1CC.
What is the InChIKey of 2,3-diethyl-5-azoniaspiro[4.5]decane?
The InChIKey is ISDZPKQINPVUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N/c1-3-12-10-14(11-13(12)4-2)8-6-5-7-9-14/h12-13H,3-11H2,1-2H3/q+1.
What are the key properties of 2,3-diethyl-5-azoniaspiro[4.5]decane?
2,3-diethyl-5-azoniaspiro[4.5]decane has a molecular weight of 196.36 g/mol, XLogP of 3.05, 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[4.5]decane is sourced from PubChem (CID 20676422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).