2-azoniaspiro[3.5]nonane

C8H16N+ — CID 28901654

IUPAC2-azoniaspiro[3.5]nonane
SMILESC1CCC2(CC1)C[NH2+]C2
InChIInChI=1S/C8H15N/c1-2-4-8(5-3-1)6-9-7-8/h9H,1-7H2/p+1
InChIKeyIBODJKKYTBNWTD-UHFFFAOYSA-O
MW126.22 g/mol
LogP0.51
Rot. Bonds

About 2-azoniaspiro[3.5]nonane

2-azoniaspiro[3.5]nonane (PubChem CID 28901654) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is 2-azoniaspiro[3.5]nonane.

Molecular Properties

Compound Name2-azoniaspiro[3.5]nonane
PubChem CID28901654
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name2-azoniaspiro[3.5]nonane
SMILESC1CCC2(CC1)C[NH2+]C2
InChIInChI=1S/C8H15N/c1-2-4-8(5-3-1)6-9-7-8/h9H,1-7H2/p+1
InChIKeyIBODJKKYTBNWTD-UHFFFAOYSA-O
XLogP0.51
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[2.7]decane
CID 12657449
spiro[4.4]nonane
CID 90780660
spiro[2.6]nonane;hydrochloride
CID 141316852
9-azoniaspiro[5.6]dodecane chloride
CID 68620873
spiro[4.4]nonane;dihydrochloride
CID 172764572
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
spiro[4.7]dodec-2-ene
CID 173458049
spiro[4.6]undec-2-ene
CID 123632667
7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane
CID 166077514
1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane
CID 142651675

Frequently Asked Questions

What is the IUPAC name of 2-azoniaspiro[3.5]nonane?
The IUPAC name of 2-azoniaspiro[3.5]nonane (CID 28901654) is 2-azoniaspiro[3.5]nonane.
What is the SMILES notation for 2-azoniaspiro[3.5]nonane?
The canonical SMILES for 2-azoniaspiro[3.5]nonane is C1CCC2(CC1)C[NH2+]C2.
What is the InChIKey of 2-azoniaspiro[3.5]nonane?
The InChIKey is IBODJKKYTBNWTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N/c1-2-4-8(5-3-1)6-9-7-8/h9H,1-7H2/p+1.
What are the key properties of 2-azoniaspiro[3.5]nonane?
2-azoniaspiro[3.5]nonane has a molecular weight of 126.22 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azoniaspiro[3.5]nonane is sourced from PubChem (CID 28901654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).