9-azoniaspiro[5.6]dodecane chloride

C11H22ClN — CID 68620873

IUPAC9-azoniaspiro[5.6]dodecane chloride
SMILESC1CCC2(CC1)CCC[NH2+]CC2.[Cl-]
InChIInChI=1S/C11H21N.ClH/c1-2-5-11(6-3-1)7-4-9-12-10-8-11;/h12H,1-10H2;1H
InChIKeySSYHEEYMUHATJL-UHFFFAOYSA-N
MW203.76 g/mol
LogP-1.31
Rot. Bonds

About 9-azoniaspiro[5.6]dodecane chloride

9-azoniaspiro[5.6]dodecane chloride (PubChem CID 68620873) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 9-azoniaspiro[5.6]dodecane chloride.

Molecular Properties

Compound Name9-azoniaspiro[5.6]dodecane chloride
PubChem CID68620873
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name9-azoniaspiro[5.6]dodecane chloride
SMILESC1CCC2(CC1)CCC[NH2+]CC2.[Cl-]
InChIInChI=1S/C11H21N.ClH/c1-2-5-11(6-3-1)7-4-9-12-10-8-11;/h12H,1-10H2;1H
InChIKeySSYHEEYMUHATJL-UHFFFAOYSA-N
XLogP-1.31
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-azoniaspiro[5.6]dodecane chloride?
The IUPAC name of 9-azoniaspiro[5.6]dodecane chloride (CID 68620873) is 9-azoniaspiro[5.6]dodecane chloride.
What is the SMILES notation for 9-azoniaspiro[5.6]dodecane chloride?
The canonical SMILES for 9-azoniaspiro[5.6]dodecane chloride is C1CCC2(CC1)CCC[NH2+]CC2.[Cl-].
What is the InChIKey of 9-azoniaspiro[5.6]dodecane chloride?
The InChIKey is SSYHEEYMUHATJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-2-5-11(6-3-1)7-4-9-12-10-8-11;/h12H,1-10H2;1H.
What are the key properties of 9-azoniaspiro[5.6]dodecane chloride?
9-azoniaspiro[5.6]dodecane chloride has a molecular weight of 203.76 g/mol, XLogP of -1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azoniaspiro[5.6]dodecane chloride is sourced from PubChem (CID 68620873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).