azane;tetramethylazanium;hydrate

C4H17N2O+ — CID 87169170

IUPACazane;tetramethylazanium;hydrate
SMILESC[N+](C)(C)C.N.O
InChIInChI=1S/C4H12N.H3N.H2O/c1-5(2,3)4;;/h1-4H3;1H3;1H2/q+1;;
InChIKeyUZKFTMRXOZSZEF-UHFFFAOYSA-N
MW109.19 g/mol
LogP-0.34
Rot. Bonds

About azane;tetramethylazanium;hydrate

azane;tetramethylazanium;hydrate (PubChem CID 87169170) has the molecular formula C4H17N2O+ and a molecular weight of 109.19 g/mol. Its IUPAC name is azane;tetramethylazanium;hydrate.

Molecular Properties

Compound Nameazane;tetramethylazanium;hydrate
PubChem CID87169170
Molecular FormulaC4H17N2O+
Molecular Weight109.19 g/mol
Exact Mass109.13
IUPAC Nameazane;tetramethylazanium;hydrate
SMILESC[N+](C)(C)C.N.O
InChIInChI=1S/C4H12N.H3N.H2O/c1-5(2,3)4;;/h1-4H3;1H3;1H2/q+1;;
InChIKeyUZKFTMRXOZSZEF-UHFFFAOYSA-N
XLogP-0.34
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.19
LogP ≤ 5-0.34
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 azane;tetramethylazanium;hydrate?
The IUPAC name of azane;tetramethylazanium;hydrate (CID 87169170) is azane;tetramethylazanium;hydrate.
What is the SMILES notation for azane;tetramethylazanium;hydrate?
The canonical SMILES for azane;tetramethylazanium;hydrate is C[N+](C)(C)C.N.O.
What is the InChIKey of azane;tetramethylazanium;hydrate?
The InChIKey is UZKFTMRXOZSZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.H3N.H2O/c1-5(2,3)4;;/h1-4H3;1H3;1H2/q+1;;.
What are the key properties of azane;tetramethylazanium;hydrate?
azane;tetramethylazanium;hydrate has a molecular weight of 109.19 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tetramethylazanium;hydrate is sourced from PubChem (CID 87169170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).