methanol;tetramethylazanium

C5H16NO+ — CID 138395754

IUPACmethanol;tetramethylazanium
SMILESCO.C[N+](C)(C)C
InChIInChI=1S/C4H12N.CH4O/c1-5(2,3)4;1-2/h1-4H3;2H,1H3/q+1;
InChIKeyTZNYAWKVRUVLTL-UHFFFAOYSA-N
MW106.19 g/mol
LogP-0.07
Rot. Bonds

About methanol;tetramethylazanium

methanol;tetramethylazanium (PubChem CID 138395754) has the molecular formula C5H16NO+ and a molecular weight of 106.19 g/mol. Its IUPAC name is methanol;tetramethylazanium.

Molecular Properties

Compound Namemethanol;tetramethylazanium
PubChem CID138395754
Molecular FormulaC5H16NO+
Molecular Weight106.19 g/mol
Exact Mass106.12
IUPAC Namemethanol;tetramethylazanium
SMILESCO.C[N+](C)(C)C
InChIInChI=1S/C4H12N.CH4O/c1-5(2,3)4;1-2/h1-4H3;2H,1H3/q+1;
InChIKeyTZNYAWKVRUVLTL-UHFFFAOYSA-N
XLogP-0.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;tetramethylazanium?
The IUPAC name of methanol;tetramethylazanium (CID 138395754) is methanol;tetramethylazanium.
What is the SMILES notation for methanol;tetramethylazanium?
The canonical SMILES for methanol;tetramethylazanium is CO.C[N+](C)(C)C.
What is the InChIKey of methanol;tetramethylazanium?
The InChIKey is TZNYAWKVRUVLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.CH4O/c1-5(2,3)4;1-2/h1-4H3;2H,1H3/q+1;.
What are the key properties of methanol;tetramethylazanium?
methanol;tetramethylazanium has a molecular weight of 106.19 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;tetramethylazanium is sourced from PubChem (CID 138395754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).