tetramethylazanium;hydroxide;dihydrate

C4H17NO3 — CID 22116808

IUPACtetramethylazanium;hydroxide;dihydrate
SMILESC[N+](C)(C)C.O.O.[OH-]
InChIInChI=1S/C4H12N.3H2O/c1-5(2,3)4;;;/h1-4H3;3*1H2/q+1;;;/p-1
InChIKeyLCUPHFXVMQLGJB-UHFFFAOYSA-M
MW127.18 g/mol
LogP-1.50
Rot. Bonds

About tetramethylazanium;hydroxide;dihydrate

tetramethylazanium;hydroxide;dihydrate (PubChem CID 22116808) has the molecular formula C4H17NO3 and a molecular weight of 127.18 g/mol. Its IUPAC name is tetramethylazanium;hydroxide;dihydrate.

Molecular Properties

Compound Nametetramethylazanium;hydroxide;dihydrate
PubChem CID22116808
Molecular FormulaC4H17NO3
Molecular Weight127.18 g/mol
Exact Mass127.12
IUPAC Nametetramethylazanium;hydroxide;dihydrate
SMILESC[N+](C)(C)C.O.O.[OH-]
InChIInChI=1S/C4H12N.3H2O/c1-5(2,3)4;;;/h1-4H3;3*1H2/q+1;;;/p-1
InChIKeyLCUPHFXVMQLGJB-UHFFFAOYSA-M
XLogP-1.50
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
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 tetramethylazanium;hydroxide;dihydrate?
The IUPAC name of tetramethylazanium;hydroxide;dihydrate (CID 22116808) is tetramethylazanium;hydroxide;dihydrate.
What is the SMILES notation for tetramethylazanium;hydroxide;dihydrate?
The canonical SMILES for tetramethylazanium;hydroxide;dihydrate is C[N+](C)(C)C.O.O.[OH-].
What is the InChIKey of tetramethylazanium;hydroxide;dihydrate?
The InChIKey is LCUPHFXVMQLGJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.3H2O/c1-5(2,3)4;;;/h1-4H3;3*1H2/q+1;;;/p-1.
What are the key properties of tetramethylazanium;hydroxide;dihydrate?
tetramethylazanium;hydroxide;dihydrate has a molecular weight of 127.18 g/mol, XLogP of -1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;hydroxide;dihydrate is sourced from PubChem (CID 22116808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).