cyanomethyl-tris(2-hydroxyethyl)azanium

C8H17N2O3+ — CID 87772941

IUPACcyanomethyl-tris(2-hydroxyethyl)azanium
SMILESN#CC[N+](CCO)(CCO)CCO
InChIInChI=1S/C8H17N2O3/c9-1-2-10(3-6-11,4-7-12)5-8-13/h11-13H,2-8H2/q+1
InChIKeyNGXOZGYUJHAHHH-UHFFFAOYSA-N
MW189.23 g/mol
LogP-1.70
Rot. Bonds7

About cyanomethyl-tris(2-hydroxyethyl)azanium

cyanomethyl-tris(2-hydroxyethyl)azanium (PubChem CID 87772941) has the molecular formula C8H17N2O3+ and a molecular weight of 189.23 g/mol. Its IUPAC name is cyanomethyl-tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namecyanomethyl-tris(2-hydroxyethyl)azanium
PubChem CID87772941
Molecular FormulaC8H17N2O3+
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namecyanomethyl-tris(2-hydroxyethyl)azanium
SMILESN#CC[N+](CCO)(CCO)CCO
InChIInChI=1S/C8H17N2O3/c9-1-2-10(3-6-11,4-7-12)5-8-13/h11-13H,2-8H2/q+1
InChIKeyNGXOZGYUJHAHHH-UHFFFAOYSA-N
XLogP-1.70
TPSA84.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2-hydroxyethyl)azanium bromide
CID 177465102
hydride;tetrakis(2-hydroxyethyl)azanium
CID 18517114
cyanomethyl-[3-[cyanomethyl(diethyl)azaniumyl]propyl]-diethylazanium dichloride
CID 87699799
cyanomethyl-(hydroxymethyl)-dimethylazanium
CID 21025002
tris(tetrakis(2-hydroxyethyl)azanium);borate
CID 173421855
2-hydroxyacetonitrile
CID 169441671
dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium
CID 87195022
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
ethane-1,2-diol;bis(propanenitrile);hydrate
CID 173496887
2-cyanoacetyl chloride;2-hydroxyethyl(trimethyl)azanium
CID 88818489
tris(carboxymethyl)-(2-hydroxyethyl)azanium
CID 10331654
bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium
CID 126615249

Frequently Asked Questions

What is the IUPAC name of cyanomethyl-tris(2-hydroxyethyl)azanium?
The IUPAC name of cyanomethyl-tris(2-hydroxyethyl)azanium (CID 87772941) is cyanomethyl-tris(2-hydroxyethyl)azanium.
What is the SMILES notation for cyanomethyl-tris(2-hydroxyethyl)azanium?
The canonical SMILES for cyanomethyl-tris(2-hydroxyethyl)azanium is N#CC[N+](CCO)(CCO)CCO.
What is the InChIKey of cyanomethyl-tris(2-hydroxyethyl)azanium?
The InChIKey is NGXOZGYUJHAHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O3/c9-1-2-10(3-6-11,4-7-12)5-8-13/h11-13H,2-8H2/q+1.
What are the key properties of cyanomethyl-tris(2-hydroxyethyl)azanium?
cyanomethyl-tris(2-hydroxyethyl)azanium has a molecular weight of 189.23 g/mol, XLogP of -1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl-tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 87772941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).