sodium;N,N-diethylhydroxylamine;hydride

C4H12NNaO — CID 173441828

IUPACsodium;N,N-diethylhydroxylamine;hydride
SMILESCCN(O)CC.[H-].[Na+]
InChIInChI=1S/C4H11NO.Na.H/c1-3-5(6)4-2;;/h6H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyPKXRNTBTXSNIFL-UHFFFAOYSA-N
MW113.14 g/mol
LogP-2.17
Rot. Bonds2

About sodium;N,N-diethylhydroxylamine;hydride

sodium;N,N-diethylhydroxylamine;hydride (PubChem CID 173441828) has the molecular formula C4H12NNaO and a molecular weight of 113.14 g/mol. Its IUPAC name is sodium;N,N-diethylhydroxylamine;hydride.

Molecular Properties

Compound Namesodium;N,N-diethylhydroxylamine;hydride
PubChem CID173441828
Molecular FormulaC4H12NNaO
Molecular Weight113.14 g/mol
Exact Mass113.08
IUPAC Namesodium;N,N-diethylhydroxylamine;hydride
SMILESCCN(O)CC.[H-].[Na+]
InChIInChI=1S/C4H11NO.Na.H/c1-3-5(6)4-2;;/h6H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyPKXRNTBTXSNIFL-UHFFFAOYSA-N
XLogP-2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 5-2.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;N,N-diethylhydroxylamine;hydride?
The IUPAC name of sodium;N,N-diethylhydroxylamine;hydride (CID 173441828) is sodium;N,N-diethylhydroxylamine;hydride.
What is the SMILES notation for sodium;N,N-diethylhydroxylamine;hydride?
The canonical SMILES for sodium;N,N-diethylhydroxylamine;hydride is CCN(O)CC.[H-].[Na+].
What is the InChIKey of sodium;N,N-diethylhydroxylamine;hydride?
The InChIKey is PKXRNTBTXSNIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.Na.H/c1-3-5(6)4-2;;/h6H,3-4H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;N,N-diethylhydroxylamine;hydride?
sodium;N,N-diethylhydroxylamine;hydride has a molecular weight of 113.14 g/mol, XLogP of -2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N,N-diethylhydroxylamine;hydride is sourced from PubChem (CID 173441828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).