tetramethylazanium;dihydrate

C4H16NO2+ — CID 23192079

IUPACtetramethylazanium;dihydrate
SMILESC[N+](C)(C)C.O.O
InChIInChI=1S/C4H12N.2H2O/c1-5(2,3)4;;/h1-4H3;2*1H2/q+1;;
InChIKeyNZJMPGDMLIPDBR-UHFFFAOYSA-N
MW110.18 g/mol
LogP-1.33
Rot. Bonds

About tetramethylazanium;dihydrate

tetramethylazanium;dihydrate (PubChem CID 23192079) has the molecular formula C4H16NO2+ and a molecular weight of 110.18 g/mol. Its IUPAC name is tetramethylazanium;dihydrate.

Molecular Properties

Compound Nametetramethylazanium;dihydrate
PubChem CID23192079
Molecular FormulaC4H16NO2+
Molecular Weight110.18 g/mol
Exact Mass110.12
IUPAC Nametetramethylazanium;dihydrate
SMILESC[N+](C)(C)C.O.O
InChIInChI=1S/C4H12N.2H2O/c1-5(2,3)4;;/h1-4H3;2*1H2/q+1;;
InChIKeyNZJMPGDMLIPDBR-UHFFFAOYSA-N
XLogP-1.33
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 5-1.33
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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Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;dihydrate?
The IUPAC name of tetramethylazanium;dihydrate (CID 23192079) is tetramethylazanium;dihydrate.
What is the SMILES notation for tetramethylazanium;dihydrate?
The canonical SMILES for tetramethylazanium;dihydrate is C[N+](C)(C)C.O.O.
What is the InChIKey of tetramethylazanium;dihydrate?
The InChIKey is NZJMPGDMLIPDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.2H2O/c1-5(2,3)4;;/h1-4H3;2*1H2/q+1;;.
What are the key properties of tetramethylazanium;dihydrate?
tetramethylazanium;dihydrate has a molecular weight of 110.18 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;dihydrate is sourced from PubChem (CID 23192079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).