2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium

C15H26N3O3+ — CID 90714652

IUPAC2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium
SMILESCCOC(=[NH2+])CC(=O)Nc1cc(C)ccc1C.NCCO
InChIInChI=1S/C13H18N2O2.C2H7NO/c1-4-17-12(14)8-13(16)15-11-7-9(2)5-6-10(11)3;3-1-2-4/h5-7,14H,4,8H2,1-3H3,(H,15,16);4H,1-3H2/p+1
InChIKeyLVTUJVSZHOWAHK-UHFFFAOYSA-O
MW296.39 g/mol
LogP-0.24
Rot. Bonds5

About 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium

2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium (PubChem CID 90714652) has the molecular formula C15H26N3O3+ and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium.

Molecular Properties

Compound Name2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium
PubChem CID90714652
Molecular FormulaC15H26N3O3+
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC Name2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium
SMILESCCOC(=[NH2+])CC(=O)Nc1cc(C)ccc1C.NCCO
InChIInChI=1S/C13H18N2O2.C2H7NO/c1-4-17-12(14)8-13(16)15-11-7-9(2)5-6-10(11)3;3-1-2-4/h5-7,14H,4,8H2,1-3H3,(H,15,16);4H,1-3H2/p+1
InChIKeyLVTUJVSZHOWAHK-UHFFFAOYSA-O
XLogP-0.24
TPSA110.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
[2-(2,5-dimethylanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2508343
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
ethyl (2R,3Z)-3-[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]-2-methylbutanoate
CID 7269735
3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide
CID 112516019
diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 7917451
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 82181054
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium?
The IUPAC name of 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium (CID 90714652) is 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium.
What is the SMILES notation for 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium?
The canonical SMILES for 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium is CCOC(=[NH2+])CC(=O)Nc1cc(C)ccc1C.NCCO.
What is the InChIKey of 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium?
The InChIKey is LVTUJVSZHOWAHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N2O2.C2H7NO/c1-4-17-12(14)8-13(16)15-11-7-9(2)5-6-10(11)3;3-1-2-4/h5-7,14H,4,8H2,1-3H3,(H,15,16);4H,1-3H2/p+1.
What are the key properties of 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium?
2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium has a molecular weight of 296.39 g/mol, XLogP of -0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;[3-(2,5-dimethylanilino)-1-ethoxy-3-oxopropylidene]azanium is sourced from PubChem (CID 90714652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).