[2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium

C6H13N2O2+ — CID 90929716

IUPAC[2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium
SMILESC[N+](C)=CC(=O)NCCO
InChIInChI=1S/C6H12N2O2/c1-8(2)5-6(10)7-3-4-9/h5,9H,3-4H2,1-2H3/p+1
InChIKeyBBAHGLMDRTVWAD-UHFFFAOYSA-O
MW145.18 g/mol
LogP-1.56
Rot. Bonds3

About [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium

[2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium (PubChem CID 90929716) has the molecular formula C6H13N2O2+ and a molecular weight of 145.18 g/mol. Its IUPAC name is [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium.

Molecular Properties

Compound Name[2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium
PubChem CID90929716
Molecular FormulaC6H13N2O2+
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name[2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium
SMILESC[N+](C)=CC(=O)NCCO
InChIInChI=1S/C6H12N2O2/c1-8(2)5-6(10)7-3-4-9/h5,9H,3-4H2,1-2H3/p+1
InChIKeyBBAHGLMDRTVWAD-UHFFFAOYSA-O
XLogP-1.56
TPSA52.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide
CID 123436293
N'-(2-hydroxyethyl)hexa-2,4-dienediamide
CID 173363491
3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea
CID 88764486
ethane;2-hydroxyethylurea
CID 144763401
(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 13364699
(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 141167180
1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
2-hydroxyethylcarbamoyl(trimethyl)azanium
CID 159325259
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
CID 108527985

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium?
The IUPAC name of [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium (CID 90929716) is [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium.
What is the SMILES notation for [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium?
The canonical SMILES for [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium is C[N+](C)=CC(=O)NCCO.
What is the InChIKey of [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium?
The InChIKey is BBAHGLMDRTVWAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2O2/c1-8(2)5-6(10)7-3-4-9/h5,9H,3-4H2,1-2H3/p+1.
What are the key properties of [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium?
[2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium has a molecular weight of 145.18 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium is sourced from PubChem (CID 90929716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).