sodium;2-(ethylamino)acetaldehyde;hydride

C4H10NNaO — CID 173371347

IUPACsodium;2-(ethylamino)acetaldehyde;hydride
SMILESCCNCC=O.[H-].[Na+]
InChIInChI=1S/C4H9NO.Na.H/c1-2-5-3-4-6;;/h4-5H,2-3H2,1H3;;/q;+1;-1
InChIKeyZWNAQKPKONETGC-UHFFFAOYSA-N
MW111.12 g/mol
LogP-3.09
Rot. Bonds3

About sodium;2-(ethylamino)acetaldehyde;hydride

sodium;2-(ethylamino)acetaldehyde;hydride (PubChem CID 173371347) has the molecular formula C4H10NNaO and a molecular weight of 111.12 g/mol. Its IUPAC name is sodium;2-(ethylamino)acetaldehyde;hydride.

Molecular Properties

Compound Namesodium;2-(ethylamino)acetaldehyde;hydride
PubChem CID173371347
Molecular FormulaC4H10NNaO
Molecular Weight111.12 g/mol
Exact Mass111.07
IUPAC Namesodium;2-(ethylamino)acetaldehyde;hydride
SMILESCCNCC=O.[H-].[Na+]
InChIInChI=1S/C4H9NO.Na.H/c1-2-5-3-4-6;;/h4-5H,2-3H2,1H3;;/q;+1;-1
InChIKeyZWNAQKPKONETGC-UHFFFAOYSA-N
XLogP-3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 5-3.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;2-(ethylamino)acetaldehyde;hydride?
The IUPAC name of sodium;2-(ethylamino)acetaldehyde;hydride (CID 173371347) is sodium;2-(ethylamino)acetaldehyde;hydride.
What is the SMILES notation for sodium;2-(ethylamino)acetaldehyde;hydride?
The canonical SMILES for sodium;2-(ethylamino)acetaldehyde;hydride is CCNCC=O.[H-].[Na+].
What is the InChIKey of sodium;2-(ethylamino)acetaldehyde;hydride?
The InChIKey is ZWNAQKPKONETGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.Na.H/c1-2-5-3-4-6;;/h4-5H,2-3H2,1H3;;/q;+1;-1.
What are the key properties of sodium;2-(ethylamino)acetaldehyde;hydride?
sodium;2-(ethylamino)acetaldehyde;hydride has a molecular weight of 111.12 g/mol, XLogP of -3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(ethylamino)acetaldehyde;hydride is sourced from PubChem (CID 173371347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).