3,3,9-trimethyl-3-azoniaspiro[5.5]undecane

C13H26N+ — CID 13056

IUPAC3,3,9-trimethyl-3-azoniaspiro[5.5]undecane
SMILESCC1CCC2(CC1)CC[N+](C)(C)CC2
InChIInChI=1S/C13H26N/c1-12-4-6-13(7-5-12)8-10-14(2,3)11-9-13/h12H,4-11H2,1-3H3/q+1
InChIKeyBFXFQKZGUOEDCH-UHFFFAOYSA-N
MW196.36 g/mol
LogP3.05
Rot. Bonds

About 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane

3,3,9-trimethyl-3-azoniaspiro[5.5]undecane (PubChem CID 13056) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3,9-trimethyl-3-azoniaspiro[5.5]undecane
PubChem CID13056
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Name3,3,9-trimethyl-3-azoniaspiro[5.5]undecane
SMILESCC1CCC2(CC1)CC[N+](C)(C)CC2
InChIInChI=1S/C13H26N/c1-12-4-6-13(7-5-12)8-10-14(2,3)11-9-13/h12H,4-11H2,1-3H3/q+1
InChIKeyBFXFQKZGUOEDCH-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane?
The IUPAC name of 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane (CID 13056) is 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane.
What is the SMILES notation for 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane?
The canonical SMILES for 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane is CC1CCC2(CC1)CC[N+](C)(C)CC2.
What is the InChIKey of 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane?
The InChIKey is BFXFQKZGUOEDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N/c1-12-4-6-13(7-5-12)8-10-14(2,3)11-9-13/h12H,4-11H2,1-3H3/q+1.
What are the key properties of 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane?
3,3,9-trimethyl-3-azoniaspiro[5.5]undecane has a molecular weight of 196.36 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,9-trimethyl-3-azoniaspiro[5.5]undecane is sourced from PubChem (CID 13056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).