3,5-dimethyl-7-azoniaspiro[6.6]tridecane

C14H28N+ — CID 121380526

IUPAC3,5-dimethyl-7-azoniaspiro[6.6]tridecane
SMILESCC1CC[N+]2(CCCCCC2)CC(C)C1
InChIInChI=1S/C14H28N/c1-13-7-10-15(12-14(2)11-13)8-5-3-4-6-9-15/h13-14H,3-12H2,1-2H3/q+1
InChIKeyMGRDNQASCKZWNC-UHFFFAOYSA-N
MW210.38 g/mol
LogP3.44
Rot. Bonds

About 3,5-dimethyl-7-azoniaspiro[6.6]tridecane

3,5-dimethyl-7-azoniaspiro[6.6]tridecane (PubChem CID 121380526) has the molecular formula C14H28N+ and a molecular weight of 210.38 g/mol. Its IUPAC name is 3,5-dimethyl-7-azoniaspiro[6.6]tridecane.

Molecular Properties

Compound Name3,5-dimethyl-7-azoniaspiro[6.6]tridecane
PubChem CID121380526
Molecular FormulaC14H28N+
Molecular Weight210.38 g/mol
Exact Mass210.22
IUPAC Name3,5-dimethyl-7-azoniaspiro[6.6]tridecane
SMILESCC1CC[N+]2(CCCCCC2)CC(C)C1
InChIInChI=1S/C14H28N/c1-13-7-10-15(12-14(2)11-13)8-5-3-4-6-9-15/h13-14H,3-12H2,1-2H3/q+1
InChIKeyMGRDNQASCKZWNC-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 3,5-dimethyl-7-azoniaspiro[6.6]tridecane?
The IUPAC name of 3,5-dimethyl-7-azoniaspiro[6.6]tridecane (CID 121380526) is 3,5-dimethyl-7-azoniaspiro[6.6]tridecane.
What is the SMILES notation for 3,5-dimethyl-7-azoniaspiro[6.6]tridecane?
The canonical SMILES for 3,5-dimethyl-7-azoniaspiro[6.6]tridecane is CC1CC[N+]2(CCCCCC2)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-7-azoniaspiro[6.6]tridecane?
The InChIKey is MGRDNQASCKZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N/c1-13-7-10-15(12-14(2)11-13)8-5-3-4-6-9-15/h13-14H,3-12H2,1-2H3/q+1.
What are the key properties of 3,5-dimethyl-7-azoniaspiro[6.6]tridecane?
3,5-dimethyl-7-azoniaspiro[6.6]tridecane has a molecular weight of 210.38 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7-azoniaspiro[6.6]tridecane is sourced from PubChem (CID 121380526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).