sodium 1-(dimethylamino)ethanolate

C4H10NNaO — CID 86586345

IUPACsodium 1-(dimethylamino)ethanolate
SMILESCC([O-])N(C)C.[Na+]
InChIInChI=1S/C4H10NO.Na/c1-4(6)5(2)3;/h4H,1-3H3;/q-1;+1
InChIKeyZEQWRUGWKKGOAW-UHFFFAOYSA-N
MW111.12 g/mol
LogP-3.74
Rot. Bonds1

About sodium 1-(dimethylamino)ethanolate

sodium 1-(dimethylamino)ethanolate (PubChem CID 86586345) has the molecular formula C4H10NNaO and a molecular weight of 111.12 g/mol. Its IUPAC name is sodium 1-(dimethylamino)ethanolate.

Molecular Properties

Compound Namesodium 1-(dimethylamino)ethanolate
PubChem CID86586345
Molecular FormulaC4H10NNaO
Molecular Weight111.12 g/mol
Exact Mass111.07
IUPAC Namesodium 1-(dimethylamino)ethanolate
SMILESCC([O-])N(C)C.[Na+]
InChIInChI=1S/C4H10NO.Na/c1-4(6)5(2)3;/h4H,1-3H3;/q-1;+1
InChIKeyZEQWRUGWKKGOAW-UHFFFAOYSA-N
XLogP-3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 5-3.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 1-(dimethylamino)ethanolate?
The IUPAC name of sodium 1-(dimethylamino)ethanolate (CID 86586345) is sodium 1-(dimethylamino)ethanolate.
What is the SMILES notation for sodium 1-(dimethylamino)ethanolate?
The canonical SMILES for sodium 1-(dimethylamino)ethanolate is CC([O-])N(C)C.[Na+].
What is the InChIKey of sodium 1-(dimethylamino)ethanolate?
The InChIKey is ZEQWRUGWKKGOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO.Na/c1-4(6)5(2)3;/h4H,1-3H3;/q-1;+1.
What are the key properties of sodium 1-(dimethylamino)ethanolate?
sodium 1-(dimethylamino)ethanolate has a molecular weight of 111.12 g/mol, XLogP of -3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-(dimethylamino)ethanolate is sourced from PubChem (CID 86586345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).