8,9-dimethyl-5-azoniaspiro[4.6]undecane

C12H24N+ — CID 121299550

IUPAC8,9-dimethyl-5-azoniaspiro[4.6]undecane
SMILESCC1CC[N+]2(CCCC2)CCC1C
InChIInChI=1S/C12H24N/c1-11-5-9-13(7-3-4-8-13)10-6-12(11)2/h11-12H,3-10H2,1-2H3/q+1
InChIKeyONVIQVXVXXEEEL-UHFFFAOYSA-N
MW182.33 g/mol
LogP2.66
Rot. Bonds

About 8,9-dimethyl-5-azoniaspiro[4.6]undecane

8,9-dimethyl-5-azoniaspiro[4.6]undecane (PubChem CID 121299550) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is 8,9-dimethyl-5-azoniaspiro[4.6]undecane.

Molecular Properties

Compound Name8,9-dimethyl-5-azoniaspiro[4.6]undecane
PubChem CID121299550
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Name8,9-dimethyl-5-azoniaspiro[4.6]undecane
SMILESCC1CC[N+]2(CCCC2)CCC1C
InChIInChI=1S/C12H24N/c1-11-5-9-13(7-3-4-8-13)10-6-12(11)2/h11-12H,3-10H2,1-2H3/q+1
InChIKeyONVIQVXVXXEEEL-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.66
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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Related Compounds

3,5-dimethyl-7-azoniaspiro[6.6]tridecane
CID 121380526
5-azoniaspiro[4.4]nonane;chloride;hydrate
CID 139201464
1,2-dimethylcyclononadecane
CID 123549851
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcycloicosane
CID 123296856
4-azoniaspiro[3.5]nonane bromide
CID 120999991
1,2-dimethylcyclohexane;vanadium
CID 142004480
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
5-azoniaspiro[4.4]nonan-3-ol hydroxide
CID 175828407
5-azoniaspiro[4.5]decan-3-ol
CID 152942581
2,4-dimethyl-6-azoniaspiro[5.5]undecane bromide
CID 171336385
carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane
CID 161179695

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-5-azoniaspiro[4.6]undecane?
The IUPAC name of 8,9-dimethyl-5-azoniaspiro[4.6]undecane (CID 121299550) is 8,9-dimethyl-5-azoniaspiro[4.6]undecane.
What is the SMILES notation for 8,9-dimethyl-5-azoniaspiro[4.6]undecane?
The canonical SMILES for 8,9-dimethyl-5-azoniaspiro[4.6]undecane is CC1CC[N+]2(CCCC2)CCC1C.
What is the InChIKey of 8,9-dimethyl-5-azoniaspiro[4.6]undecane?
The InChIKey is ONVIQVXVXXEEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N/c1-11-5-9-13(7-3-4-8-13)10-6-12(11)2/h11-12H,3-10H2,1-2H3/q+1.
What are the key properties of 8,9-dimethyl-5-azoniaspiro[4.6]undecane?
8,9-dimethyl-5-azoniaspiro[4.6]undecane has a molecular weight of 182.33 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-5-azoniaspiro[4.6]undecane is sourced from PubChem (CID 121299550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).