2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol

C6H16N2O3 — CID 57197052

IUPAC2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(O)COCCN
InChIInChI=1S/C6H16N2O3/c1-5(9)8-6(10)4-11-3-2-7/h5-6,8-10H,2-4,7H2,1H3
InChIKeyGRJIPJYAAGUTMS-UHFFFAOYSA-N
MW164.20 g/mol
LogP-1.79
Rot. Bonds6

About 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol

2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol (PubChem CID 57197052) has the molecular formula C6H16N2O3 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol
PubChem CID57197052
Molecular FormulaC6H16N2O3
Molecular Weight164.20 g/mol
Exact Mass164.12
IUPAC Name2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(O)COCCN
InChIInChI=1S/C6H16N2O3/c1-5(9)8-6(10)4-11-3-2-7/h5-6,8-10H,2-4,7H2,1H3
InChIKeyGRJIPJYAAGUTMS-UHFFFAOYSA-N
XLogP-1.79
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
CID 144781174
2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54143960
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
CID 118402947
2-(2-methylpentoxy)ethanamine
CID 62343431
2-(2-aminoethoxymethyl)propane-1,3-diol
CID 118527110
2-(2-ethylbutoxy)ethanamine
CID 82929181
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
(1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol
CID 167077567
(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
[3-(2-aminoethoxy)-2-hydroxypropyl]sulfamic acid
CID 15354179
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol?
The IUPAC name of 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol (CID 57197052) is 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol?
The canonical SMILES for 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol is CC(O)NC(O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol?
The InChIKey is GRJIPJYAAGUTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3/c1-5(9)8-6(10)4-11-3-2-7/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol?
2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol has a molecular weight of 164.20 g/mol, XLogP of -1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol is sourced from PubChem (CID 57197052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).