9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane

C13H24N+ — CID 123756438

IUPAC9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane
SMILESC/C=[N+]1\CCC2(CCC2)CC(CC)C1
InChIInChI=1S/C13H24N/c1-3-12-10-13(6-5-7-13)8-9-14(4-2)11-12/h4,12H,3,5-11H2,1-2H3/q+1/b14-4+
InChIKeyDYWQZEGNGFUAEO-LNKIKWGQSA-N
MW194.34 g/mol
LogP3.08
Rot. Bonds1

About 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane

9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane (PubChem CID 123756438) has the molecular formula C13H24N+ and a molecular weight of 194.34 g/mol. Its IUPAC name is 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane.

Molecular Properties

Compound Name9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane
PubChem CID123756438
Molecular FormulaC13H24N+
Molecular Weight194.34 g/mol
Exact Mass194.19
IUPAC Name9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane
SMILESC/C=[N+]1\CCC2(CCC2)CC(CC)C1
InChIInChI=1S/C13H24N/c1-3-12-10-13(6-5-7-13)8-9-14(4-2)11-12/h4,12H,3,5-11H2,1-2H3/q+1/b14-4+
InChIKeyDYWQZEGNGFUAEO-LNKIKWGQSA-N
XLogP3.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 53.08
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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Related Compounds

2-ethylspiro[3.3]heptane
CID 123395058
8-ethyl-6-methylidene-6-azoniaspiro[2.6]nonane
CID 123258991
8-(2,2-dimethylpropyl)spiro[3.5]nonane
CID 140644547
2-(2,2-dimethylpropyl)spiro[3.3]heptane
CID 140612166
propane;spiro[3.3]heptane
CID 176988732
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
N-methyl-1-spiro[3.4]octan-7-ylmethanamine
CID 170362229
ethane;3-ethyl-8-azaspiro[4.5]decane
CID 170578114
(6-ethylspiro[3.3]heptan-2-yl)methanol
CID 122429211
(2R)-2-amino-3-spiro[3.3]heptan-2-ylpropan-1-ol;hydrochloride
CID 169093167
8-ethyl-7-iodo-7-azaspiro[3.5]nonane
CID 118971456
(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 54221269

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane?
The IUPAC name of 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane (CID 123756438) is 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane.
What is the SMILES notation for 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane?
The canonical SMILES for 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane is C/C=[N+]1\CCC2(CCC2)CC(CC)C1.
What is the InChIKey of 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane?
The InChIKey is DYWQZEGNGFUAEO-LNKIKWGQSA-N. The full InChI is InChI=1S/C13H24N/c1-3-12-10-13(6-5-7-13)8-9-14(4-2)11-12/h4,12H,3,5-11H2,1-2H3/q+1/b14-4+.
What are the key properties of 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane?
9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane has a molecular weight of 194.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7-ethylidene-7-azoniaspiro[3.6]decane is sourced from PubChem (CID 123756438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).