azanium bis(2-hydroxyethyl)azanium

C4H16N2O2+2 — CID 18521410

IUPACazanium bis(2-hydroxyethyl)azanium
SMILESOCC[NH2+]CCO.[NH4+]
InChIInChI=1S/C4H11NO2.H3N/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H3/p+2
InChIKeyFMCMBQAQGFMXTO-UHFFFAOYSA-P
MW124.18 g/mol
LogP-2.09
Rot. Bonds4

About azanium bis(2-hydroxyethyl)azanium

azanium bis(2-hydroxyethyl)azanium (PubChem CID 18521410) has the molecular formula C4H16N2O2+2 and a molecular weight of 124.18 g/mol. Its IUPAC name is azanium bis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Nameazanium bis(2-hydroxyethyl)azanium
PubChem CID18521410
Molecular FormulaC4H16N2O2+2
Molecular Weight124.18 g/mol
Exact Mass124.12
IUPAC Nameazanium bis(2-hydroxyethyl)azanium
SMILESOCC[NH2+]CCO.[NH4+]
InChIInChI=1S/C4H11NO2.H3N/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H3/p+2
InChIKeyFMCMBQAQGFMXTO-UHFFFAOYSA-P
XLogP-2.09
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxyethyl)azanium;bromide;chloride
CID 87517996
bis(2-hydroxyethyl)azanium nitrite
CID 87299481
bis(2-hydroxyethyl)azanium;dihydrogen phosphate
CID 57376871
bis(bis(2-hydroxyethyl)azanium);butanedioate
CID 87299345
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
tris(bis(2-hydroxyethyl)azanium);2-hydroxypropane-1,2,3-tricarboxylate
CID 137321421
2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid
CID 170844006
2-hydroxyethyl(methyl)azanium iodide
CID 87299375
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
4-(4-bromophenoxy)butyl-(2-hydroxyethyl)azanium
CID 2250535
bis(2-hydroxyethyl)azanium;hexadecyl sulfate
CID 53447388
bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium
CID 161327408

Frequently Asked Questions

What is the IUPAC name of azanium bis(2-hydroxyethyl)azanium?
The IUPAC name of azanium bis(2-hydroxyethyl)azanium (CID 18521410) is azanium bis(2-hydroxyethyl)azanium.
What is the SMILES notation for azanium bis(2-hydroxyethyl)azanium?
The canonical SMILES for azanium bis(2-hydroxyethyl)azanium is OCC[NH2+]CCO.[NH4+].
What is the InChIKey of azanium bis(2-hydroxyethyl)azanium?
The InChIKey is FMCMBQAQGFMXTO-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H11NO2.H3N/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H3/p+2.
What are the key properties of azanium bis(2-hydroxyethyl)azanium?
azanium bis(2-hydroxyethyl)azanium has a molecular weight of 124.18 g/mol, XLogP of -2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium bis(2-hydroxyethyl)azanium is sourced from PubChem (CID 18521410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).