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

C5H14N2O2 — CID 18542021

IUPAC2-[aminomethyl(2-hydroxyethyl)amino]ethanol
SMILESNCN(CCO)CCO
InChIInChI=1S/C5H14N2O2/c6-5-7(1-3-8)2-4-9/h8-9H,1-6H2
InChIKeyUZZFSFFZEPIOFW-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.81
Rot. Bonds5

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

2-[aminomethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 18542021) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-[aminomethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[aminomethyl(2-hydroxyethyl)amino]ethanol
PubChem CID18542021
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name2-[aminomethyl(2-hydroxyethyl)amino]ethanol
SMILESNCN(CCO)CCO
InChIInChI=1S/C5H14N2O2/c6-5-7(1-3-8)2-4-9/h8-9H,1-6H2
InChIKeyUZZFSFFZEPIOFW-UHFFFAOYSA-N
XLogP-1.81
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
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-[aminomethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[aminomethyl(2-hydroxyethyl)amino]ethanol (CID 18542021) is 2-[aminomethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[aminomethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[aminomethyl(2-hydroxyethyl)amino]ethanol is NCN(CCO)CCO.
What is the InChIKey of 2-[aminomethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is UZZFSFFZEPIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c6-5-7(1-3-8)2-4-9/h8-9H,1-6H2.
What are the key properties of 2-[aminomethyl(2-hydroxyethyl)amino]ethanol?
2-[aminomethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 134.18 g/mol, XLogP of -1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[aminomethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 18542021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).