4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane

C14H28N+ — CID 20676438

IUPAC4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
SMILESCCC1CC(C)C[N+]2(CCCCCC2)C1
InChIInChI=1S/C14H28N/c1-3-14-10-13(2)11-15(12-14)8-6-4-5-7-9-15/h13-14H,3-12H2,1-2H3/q+1
InChIKeyNWBRXIKIWNVGHQ-UHFFFAOYSA-N
MW210.38 g/mol
LogP3.44
Rot. Bonds1

About 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane

4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane (PubChem CID 20676438) has the molecular formula C14H28N+ and a molecular weight of 210.38 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
PubChem CID20676438
Molecular FormulaC14H28N+
Molecular Weight210.38 g/mol
Exact Mass210.22
IUPAC Name4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
SMILESCCC1CC(C)C[N+]2(CCCCCC2)C1
InChIInChI=1S/C14H28N/c1-3-14-10-13(2)11-15(12-14)8-6-4-5-7-9-15/h13-14H,3-12H2,1-2H3/q+1
InChIKeyNWBRXIKIWNVGHQ-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.38
LogP ≤ 53.44
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 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane?
The IUPAC name of 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane (CID 20676438) is 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane.
What is the SMILES notation for 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane?
The canonical SMILES for 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane is CCC1CC(C)C[N+]2(CCCCCC2)C1.
What is the InChIKey of 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane?
The InChIKey is NWBRXIKIWNVGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N/c1-3-14-10-13(2)11-15(12-14)8-6-4-5-7-9-15/h13-14H,3-12H2,1-2H3/q+1.
What are the key properties of 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane?
4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane has a molecular weight of 210.38 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane is sourced from PubChem (CID 20676438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).