2-[2-hydroxyethyl(methanidyl)amino]ethanol

C5H12NO2- — CID 23545685

IUPAC2-[2-hydroxyethyl(methanidyl)amino]ethanol
SMILES[CH2-]N(CCO)CCO
InChIInChI=1S/C5H12NO2/c1-6(2-4-7)3-5-8/h7-8H,1-5H2/q-1
InChIKeyOKDFWFDQLNPGIO-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.94
Rot. Bonds4

About 2-[2-hydroxyethyl(methanidyl)amino]ethanol

2-[2-hydroxyethyl(methanidyl)amino]ethanol (PubChem CID 23545685) has the molecular formula C5H12NO2- and a molecular weight of 118.16 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methanidyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methanidyl)amino]ethanol
PubChem CID23545685
Molecular FormulaC5H12NO2-
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name2-[2-hydroxyethyl(methanidyl)amino]ethanol
SMILES[CH2-]N(CCO)CCO
InChIInChI=1S/C5H12NO2/c1-6(2-4-7)3-5-8/h7-8H,1-5H2/q-1
InChIKeyOKDFWFDQLNPGIO-UHFFFAOYSA-N
XLogP-0.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methanidyl(propyl)amino]ethanol
CID 159970489
potassium 2-[methanidyl(2-methylpropyl)amino]ethanol
CID 154651163
2-[methanidyl(propan-2-yl)amino]ethanol
CID 59626620
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methanidyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(methanidyl)amino]ethanol (CID 23545685) is 2-[2-hydroxyethyl(methanidyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(methanidyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(methanidyl)amino]ethanol is [CH2-]N(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methanidyl)amino]ethanol?
The InChIKey is OKDFWFDQLNPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2/c1-6(2-4-7)3-5-8/h7-8H,1-5H2/q-1.
What are the key properties of 2-[2-hydroxyethyl(methanidyl)amino]ethanol?
2-[2-hydroxyethyl(methanidyl)amino]ethanol has a molecular weight of 118.16 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methanidyl)amino]ethanol is sourced from PubChem (CID 23545685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).