dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium

C9H24N3+3 — CID 158011582

IUPACdimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium
SMILESC#[N+]C.C=[N+](C)C.C[N+](C)(C)C
InChIInChI=1S/C4H12N.C3H8N.C2H4N/c1-5(2,3)4;1-4(2)3;1-3-2/h1-4H3;1H2,2-3H3;1H,2H3/q3*+1
InChIKeyTTXUOLNRTNVQLC-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.86
Rot. Bonds

About dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium

dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium (PubChem CID 158011582) has the molecular formula C9H24N3+3 and a molecular weight of 174.31 g/mol. Its IUPAC name is dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium.

Molecular Properties

Compound Namedimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium
PubChem CID158011582
Molecular FormulaC9H24N3+3
Molecular Weight174.31 g/mol
Exact Mass174.20
IUPAC Namedimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium
SMILESC#[N+]C.C=[N+](C)C.C[N+](C)(C)C
InChIInChI=1S/C4H12N.C3H8N.C2H4N/c1-5(2,3)4;1-4(2)3;1-3-2/h1-4H3;1H2,2-3H3;1H,2H3/q3*+1
InChIKeyTTXUOLNRTNVQLC-UHFFFAOYSA-N
XLogP0.86
TPSA7.37 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl(methylidene)azanium;hydroiodide
CID 45051693
tetra((113C)methyl)azanium
CID 171381348
ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium
CID 159411313
formaldehyde;tetramethylazanium
CID 57468222
lead(2+);tetramethylazanium
CID 88599157
calcium tetramethylazanium
CID 21487404
tetramethylazanium;titanium(4+)
CID 159533487
λ2-plumbane;tetramethylazanium
CID 173386862
sodium;tetramethylazanium;dichloride
CID 173400677
lithium;tetramethylazanium;iodide
CID 23714779
molecular iodine;tetramethylazanium
CID 157068254
sodium;tetramethylazanium;chloride
CID 23689798

Frequently Asked Questions

What is the IUPAC name of dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium?
The IUPAC name of dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium (CID 158011582) is dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium.
What is the SMILES notation for dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium?
The canonical SMILES for dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium is C#[N+]C.C=[N+](C)C.C[N+](C)(C)C.
What is the InChIKey of dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium?
The InChIKey is TTXUOLNRTNVQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C3H8N.C2H4N/c1-5(2,3)4;1-4(2)3;1-3-2/h1-4H3;1H2,2-3H3;1H,2H3/q3*+1.
What are the key properties of dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium?
dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium has a molecular weight of 174.31 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium is sourced from PubChem (CID 158011582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).