tetra((113C)methyl)azanium

C4H12N+ — CID 171381348

IUPACtetra((113C)methyl)azanium
SMILES[13CH3][N+]([13CH3])([13CH3])[13CH3]
InChIInChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1/i1+1,2+1,3+1,4+1
InChIKeyQEMXHQIAXOOASZ-JCDJMFQYSA-N
MW78.12 g/mol
LogP0.32
Rot. Bonds

About tetra((113C)methyl)azanium

tetra((113C)methyl)azanium (PubChem CID 171381348) has the molecular formula C4H12N+ and a molecular weight of 78.12 g/mol. Its IUPAC name is tetra((113C)methyl)azanium.

Molecular Properties

Compound Nametetra((113C)methyl)azanium
PubChem CID171381348
Molecular FormulaC4H12N+
Molecular Weight78.12 g/mol
Exact Mass78.11
IUPAC Nametetra((113C)methyl)azanium
SMILES[13CH3][N+]([13CH3])([13CH3])[13CH3]
InChIInChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1/i1+1,2+1,3+1,4+1
InChIKeyQEMXHQIAXOOASZ-JCDJMFQYSA-N
XLogP0.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.12
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetra((113C)methyl)azanium 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

tetramethylazanium;titanium(4+)
CID 159533487
lead(2+);tetramethylazanium
CID 88599157
calcium tetramethylazanium
CID 21487404
λ2-plumbane;tetramethylazanium
CID 173386862
lithium;tetramethylazanium;iodide
CID 23714779
sodium;tetramethylazanium;dichloride
CID 173400677
molecular iodine;tetramethylazanium
CID 157068254
sodium;tetramethylazanium;chloride
CID 23689798
phosphinous acid;tris(tetramethylazanium)
CID 173308937
sodium;hydride;tetramethylazanium;hydrochloride
CID 173460046
formaldehyde;tetramethylazanium
CID 57468222
sodium;sulfanide;tetramethylazanium;hydroxide
CID 173362953

Frequently Asked Questions

What is the IUPAC name of tetra((113C)methyl)azanium?
The IUPAC name of tetra((113C)methyl)azanium (CID 171381348) is tetra((113C)methyl)azanium.
What is the SMILES notation for tetra((113C)methyl)azanium?
The canonical SMILES for tetra((113C)methyl)azanium is [13CH3][N+]([13CH3])([13CH3])[13CH3].
What is the InChIKey of tetra((113C)methyl)azanium?
The InChIKey is QEMXHQIAXOOASZ-JCDJMFQYSA-N. The full InChI is InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1/i1+1,2+1,3+1,4+1.
What are the key properties of tetra((113C)methyl)azanium?
tetra((113C)methyl)azanium has a molecular weight of 78.12 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetra((113C)methyl)azanium is sourced from PubChem (CID 171381348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).