2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol

C6H16N2O3 — CID 174950527

IUPAC2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol
SMILESCCOC(CO)N(N)CCO
InChIInChI=1S/C6H16N2O3/c1-2-11-6(5-10)8(7)3-4-9/h6,9-10H,2-5,7H2,1H3
InChIKeyMMIURGPQTPATDW-UHFFFAOYSA-N
MW164.20 g/mol
LogP-1.49
Rot. Bonds6

About 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol

2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol (PubChem CID 174950527) has the molecular formula C6H16N2O3 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol.

Molecular Properties

Compound Name2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol
PubChem CID174950527
Molecular FormulaC6H16N2O3
Molecular Weight164.20 g/mol
Exact Mass164.12
IUPAC Name2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol
SMILESCCOC(CO)N(N)CCO
InChIInChI=1S/C6H16N2O3/c1-2-11-6(5-10)8(7)3-4-9/h6,9-10H,2-5,7H2,1H3
InChIKeyMMIURGPQTPATDW-UHFFFAOYSA-N
XLogP-1.49
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol
CID 141087616
[1-ethoxypropyl(hydroxymethyl)amino]methanol
CID 18004311
2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol
CID 63619203
2-[(3-amino-2-ethoxypropyl)-propylamino]ethanol
CID 63070050
3-amino-3-ethoxypropan-1-ol
CID 88521290
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
2-[2,2-diethoxyethyl(pentan-3-yl)amino]ethanol
CID 63616990
1,2-diethoxy-N,N-dimethylethanamine
CID 88650398
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
(2S)-2-ethoxybutan-1-ol
CID 89167253
2-[bis(2-hydroxyethyl)amino]ethanol;ethoxyethane
CID 22156510

Frequently Asked Questions

What is the IUPAC name of 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol?
The IUPAC name of 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol (CID 174950527) is 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol.
What is the SMILES notation for 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol?
The canonical SMILES for 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol is CCOC(CO)N(N)CCO.
What is the InChIKey of 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol?
The InChIKey is MMIURGPQTPATDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3/c1-2-11-6(5-10)8(7)3-4-9/h6,9-10H,2-5,7H2,1H3.
What are the key properties of 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol?
2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol has a molecular weight of 164.20 g/mol, XLogP of -1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol is sourced from PubChem (CID 174950527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).