ethyl(trimethyl)azanium;dihydrate

C5H18NO2+ — CID 174491612

IUPACethyl(trimethyl)azanium;dihydrate
SMILESCC[N+](C)(C)C.O.O
InChIInChI=1S/C5H14N.2H2O/c1-5-6(2,3)4;;/h5H2,1-4H3;2*1H2/q+1;;
InChIKeyRGURVZKFQHCHFD-UHFFFAOYSA-N
MW124.20 g/mol
LogP-0.94
Rot. Bonds1

About ethyl(trimethyl)azanium;dihydrate

ethyl(trimethyl)azanium;dihydrate (PubChem CID 174491612) has the molecular formula C5H18NO2+ and a molecular weight of 124.20 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;dihydrate.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;dihydrate
PubChem CID174491612
Molecular FormulaC5H18NO2+
Molecular Weight124.20 g/mol
Exact Mass124.13
IUPAC Nameethyl(trimethyl)azanium;dihydrate
SMILESCC[N+](C)(C)C.O.O
InChIInChI=1S/C5H14N.2H2O/c1-5-6(2,3)4;;/h5H2,1-4H3;2*1H2/q+1;;
InChIKeyRGURVZKFQHCHFD-UHFFFAOYSA-N
XLogP-0.94
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.20
LogP ≤ 5-0.94
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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Related Compounds

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CID 159681930
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Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;dihydrate?
The IUPAC name of ethyl(trimethyl)azanium;dihydrate (CID 174491612) is ethyl(trimethyl)azanium;dihydrate.
What is the SMILES notation for ethyl(trimethyl)azanium;dihydrate?
The canonical SMILES for ethyl(trimethyl)azanium;dihydrate is CC[N+](C)(C)C.O.O.
What is the InChIKey of ethyl(trimethyl)azanium;dihydrate?
The InChIKey is RGURVZKFQHCHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N.2H2O/c1-5-6(2,3)4;;/h5H2,1-4H3;2*1H2/q+1;;.
What are the key properties of ethyl(trimethyl)azanium;dihydrate?
ethyl(trimethyl)azanium;dihydrate has a molecular weight of 124.20 g/mol, XLogP of -0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;dihydrate is sourced from PubChem (CID 174491612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).