2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane

C15H30N+ — CID 121299463

IUPAC2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane
SMILESCC1C[N+]2(CCCCCC2)C(C)C(C)C1C
InChIInChI=1S/C15H30N/c1-12-11-16(9-7-5-6-8-10-16)15(4)14(3)13(12)2/h12-15H,5-11H2,1-4H3/q+1
InChIKeyUXCODTBPIWEOCL-UHFFFAOYSA-N
MW224.41 g/mol
LogP3.69
Rot. Bonds

About 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane

2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane (PubChem CID 121299463) has the molecular formula C15H30N+ and a molecular weight of 224.41 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane
PubChem CID121299463
Molecular FormulaC15H30N+
Molecular Weight224.41 g/mol
Exact Mass224.24
IUPAC Name2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane
SMILESCC1C[N+]2(CCCCCC2)C(C)C(C)C1C
InChIInChI=1S/C15H30N/c1-12-11-16(9-7-5-6-8-10-16)15(4)14(3)13(12)2/h12-15H,5-11H2,1-4H3/q+1
InChIKeyUXCODTBPIWEOCL-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;1,2,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,5-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,4-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,5-trimethyl-6-azoniaspiro[5.6]dodecane
CID 159092012
carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane
CID 160641412
2,4-dimethyl-6-azoniaspiro[5.5]undecane bromide
CID 171336385
8,9-dimethyl-5-azoniaspiro[4.6]undecane
CID 121299550
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
3,5-dimethyl-7-azoniaspiro[6.6]tridecane
CID 121380526
cyclopropane;bis(1,1-dimethylpiperidin-1-ium)
CID 67708683
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethyl-3-azoniaspiro[2.2]pentane
CID 123348703
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
1,2-dimethylcycloicosane
CID 123296856
1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
CID 158814736

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane?
The IUPAC name of 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane (CID 121299463) is 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane?
The canonical SMILES for 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane is CC1C[N+]2(CCCCCC2)C(C)C(C)C1C.
What is the InChIKey of 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane?
The InChIKey is UXCODTBPIWEOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N/c1-12-11-16(9-7-5-6-8-10-16)15(4)14(3)13(12)2/h12-15H,5-11H2,1-4H3/q+1.
What are the key properties of 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane?
2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane has a molecular weight of 224.41 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane is sourced from PubChem (CID 121299463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).