2-hydroxyethyl(trimethyl)azanium;urea;hydroxide

C6H19N3O3 — CID 175396514

IUPAC2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
SMILESC[N+](C)(C)CCO.NC(N)=O.[OH-]
InChIInChI=1S/C5H14NO.CH4N2O.H2O/c1-6(2,3)4-5-7;2-1(3)4;/h7H,4-5H2,1-3H3;(H4,2,3,4);1H2/q+1;;/p-1
InChIKeyRIRKVQNUSFCETF-UHFFFAOYSA-M
MW181.24 g/mol
LogP-1.47
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide

2-hydroxyethyl(trimethyl)azanium;urea;hydroxide (PubChem CID 175396514) has the molecular formula C6H19N3O3 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
PubChem CID175396514
Molecular FormulaC6H19N3O3
Molecular Weight181.24 g/mol
Exact Mass181.14
IUPAC Name2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
SMILESC[N+](C)(C)CCO.NC(N)=O.[OH-]
InChIInChI=1S/C5H14NO.CH4N2O.H2O/c1-6(2,3)4-5-7;2-1(3)4;/h7H,4-5H2,1-3H3;(H4,2,3,4);1H2/q+1;;/p-1
InChIKeyRIRKVQNUSFCETF-UHFFFAOYSA-M
XLogP-1.47
TPSA119.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
CID 23615624
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 155059662
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide (CID 175396514) is 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide is C[N+](C)(C)CCO.NC(N)=O.[OH-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide?
The InChIKey is RIRKVQNUSFCETF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.CH4N2O.H2O/c1-6(2,3)4-5-7;2-1(3)4;/h7H,4-5H2,1-3H3;(H4,2,3,4);1H2/q+1;;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide?
2-hydroxyethyl(trimethyl)azanium;urea;hydroxide has a molecular weight of 181.24 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;urea;hydroxide is sourced from PubChem (CID 175396514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).