magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride

C10H27MgN2NaO7 — CID 173414651

IUPACmagnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCN(O)CCN.[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/C4H12N2O.3C2H4O2.Mg.Na.3H/c1-2-6(7)4-3-5;3*1-2(3)4;;;;;/h7H,2-5H2,1H3;3*1H3,(H,3,4);;;;;/q;;;;+2;+1;3*-1
InChIKeyBJDNVMQGUUHEIU-UHFFFAOYSA-N
MW334.63 g/mol
LogP-3.11
Rot. Bonds3

About magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride

magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride (PubChem CID 173414651) has the molecular formula C10H27MgN2NaO7 and a molecular weight of 334.63 g/mol. Its IUPAC name is magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride.

Molecular Properties

Compound Namemagnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride
PubChem CID173414651
Molecular FormulaC10H27MgN2NaO7
Molecular Weight334.63 g/mol
Exact Mass334.16
IUPAC Namemagnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCN(O)CCN.[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/C4H12N2O.3C2H4O2.Mg.Na.3H/c1-2-6(7)4-3-5;3*1-2(3)4;;;;;/h7H,2-5H2,1H3;3*1H3,(H,3,4);;;;;/q;;;;+2;+1;3*-1
InChIKeyBJDNVMQGUUHEIU-UHFFFAOYSA-N
XLogP-3.11
TPSA161.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 5-3.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
tetrasodium;acetic acid;ethane-1,2-diamine;hydride
CID 173109232
disodium;acetic acid;cobalt;ethane-1,2-diamine;hydride
CID 173463386
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 173022458
CID 173022458
CID 173241709
CID 173241709
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
CID 173086150
CID 173086150
acetic acid;azane;propan-1-amine
CID 22269600
acetic acid;2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
CID 88745312
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
acetic acid;copper;ethane-1,2-diamine
CID 88782929

Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride?
The IUPAC name of magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride (CID 173414651) is magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride.
What is the SMILES notation for magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride?
The canonical SMILES for magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride is CC(=O)O.CC(=O)O.CC(=O)O.CCN(O)CCN.[H-].[H-].[H-].[Mg+2].[Na+].
What is the InChIKey of magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride?
The InChIKey is BJDNVMQGUUHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.3C2H4O2.Mg.Na.3H/c1-2-6(7)4-3-5;3*1-2(3)4;;;;;/h7H,2-5H2,1H3;3*1H3,(H,3,4);;;;;/q;;;;+2;+1;3*-1.
What are the key properties of magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride?
magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride has a molecular weight of 334.63 g/mol, XLogP of -3.11, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride is sourced from PubChem (CID 173414651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).