azanium;tetramethylazanium;dihydroxide

C4H18N2O2 — CID 18704340

IUPACazanium;tetramethylazanium;dihydroxide
SMILESC[N+](C)(C)C.[NH4+].[OH-].[OH-]
InChIInChI=1S/C4H12N.H3N.2H2O/c1-5(2,3)4;;;/h1-4H3;1H3;2*1H2/q+1;;;/p-1
InChIKeyPNNLHGFFNNLCHM-UHFFFAOYSA-M
MW126.20 g/mol
LogP0.34
Rot. Bonds

About azanium;tetramethylazanium;dihydroxide

azanium;tetramethylazanium;dihydroxide (PubChem CID 18704340) has the molecular formula C4H18N2O2 and a molecular weight of 126.20 g/mol. Its IUPAC name is azanium;tetramethylazanium;dihydroxide.

Molecular Properties

Compound Nameazanium;tetramethylazanium;dihydroxide
PubChem CID18704340
Molecular FormulaC4H18N2O2
Molecular Weight126.20 g/mol
Exact Mass126.14
IUPAC Nameazanium;tetramethylazanium;dihydroxide
SMILESC[N+](C)(C)C.[NH4+].[OH-].[OH-]
InChIInChI=1S/C4H12N.H3N.2H2O/c1-5(2,3)4;;;/h1-4H3;1H3;2*1H2/q+1;;;/p-1
InChIKeyPNNLHGFFNNLCHM-UHFFFAOYSA-M
XLogP0.34
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 azanium;tetramethylazanium;dihydroxide?
The IUPAC name of azanium;tetramethylazanium;dihydroxide (CID 18704340) is azanium;tetramethylazanium;dihydroxide.
What is the SMILES notation for azanium;tetramethylazanium;dihydroxide?
The canonical SMILES for azanium;tetramethylazanium;dihydroxide is C[N+](C)(C)C.[NH4+].[OH-].[OH-].
What is the InChIKey of azanium;tetramethylazanium;dihydroxide?
The InChIKey is PNNLHGFFNNLCHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.H3N.2H2O/c1-5(2,3)4;;;/h1-4H3;1H3;2*1H2/q+1;;;/p-1.
What are the key properties of azanium;tetramethylazanium;dihydroxide?
azanium;tetramethylazanium;dihydroxide has a molecular weight of 126.20 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;tetramethylazanium;dihydroxide is sourced from PubChem (CID 18704340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).