ethyl-tris(2-hydroxyethyl)azanium hydroxide

C8H21NO4 — CID 14767686

IUPACethyl-tris(2-hydroxyethyl)azanium hydroxide
SMILESCC[N+](CCO)(CCO)CCO.[OH-]
InChIInChI=1S/C8H20NO3.H2O/c1-2-9(3-6-10,4-7-11)5-8-12;/h10-12H,2-8H2,1H3;1H2/q+1;/p-1
InChIKeyKGVNNTSVYGJCRV-UHFFFAOYSA-M
MW195.26 g/mol
LogP-1.38
Rot. Bonds7

About ethyl-tris(2-hydroxyethyl)azanium hydroxide

ethyl-tris(2-hydroxyethyl)azanium hydroxide (PubChem CID 14767686) has the molecular formula C8H21NO4 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl-tris(2-hydroxyethyl)azanium hydroxide.

Molecular Properties

Compound Nameethyl-tris(2-hydroxyethyl)azanium hydroxide
PubChem CID14767686
Molecular FormulaC8H21NO4
Molecular Weight195.26 g/mol
Exact Mass195.15
IUPAC Nameethyl-tris(2-hydroxyethyl)azanium hydroxide
SMILESCC[N+](CCO)(CCO)CCO.[OH-]
InChIInChI=1S/C8H20NO3.H2O/c1-2-9(3-6-10,4-7-11)5-8-12;/h10-12H,2-8H2,1H3;1H2/q+1;/p-1
InChIKeyKGVNNTSVYGJCRV-UHFFFAOYSA-M
XLogP-1.38
TPSA90.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-tris(2-hydroxyethyl)azanium hydroxide?
The IUPAC name of ethyl-tris(2-hydroxyethyl)azanium hydroxide (CID 14767686) is ethyl-tris(2-hydroxyethyl)azanium hydroxide.
What is the SMILES notation for ethyl-tris(2-hydroxyethyl)azanium hydroxide?
The canonical SMILES for ethyl-tris(2-hydroxyethyl)azanium hydroxide is CC[N+](CCO)(CCO)CCO.[OH-].
What is the InChIKey of ethyl-tris(2-hydroxyethyl)azanium hydroxide?
The InChIKey is KGVNNTSVYGJCRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO3.H2O/c1-2-9(3-6-10,4-7-11)5-8-12;/h10-12H,2-8H2,1H3;1H2/q+1;/p-1.
What are the key properties of ethyl-tris(2-hydroxyethyl)azanium hydroxide?
ethyl-tris(2-hydroxyethyl)azanium hydroxide has a molecular weight of 195.26 g/mol, XLogP of -1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-tris(2-hydroxyethyl)azanium hydroxide is sourced from PubChem (CID 14767686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).