2-[2-aminoethyl(methyl)amino]ethanol

C5H14N2O — CID 10887881

IUPAC2-[2-aminoethyl(methyl)amino]ethanol
SMILESCN(CCN)CCO
InChIInChI=1S/C5H14N2O/c1-7(3-2-6)4-5-8/h8H,2-6H2,1H3
InChIKeyXYJVGUKOTPNESI-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.13
Rot. Bonds4

About 2-[2-aminoethyl(methyl)amino]ethanol

2-[2-aminoethyl(methyl)amino]ethanol (PubChem CID 10887881) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]ethanol
PubChem CID10887881
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2-[2-aminoethyl(methyl)amino]ethanol
SMILESCN(CCN)CCO
InChIInChI=1S/C5H14N2O/c1-7(3-2-6)4-5-8/h8H,2-6H2,1H3
InChIKeyXYJVGUKOTPNESI-UHFFFAOYSA-N
XLogP-1.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]ethanol?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]ethanol (CID 10887881) is 2-[2-aminoethyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]ethanol?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]ethanol is CN(CCN)CCO.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]ethanol?
The InChIKey is XYJVGUKOTPNESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-7(3-2-6)4-5-8/h8H,2-6H2,1H3.
What are the key properties of 2-[2-aminoethyl(methyl)amino]ethanol?
2-[2-aminoethyl(methyl)amino]ethanol has a molecular weight of 118.18 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]ethanol is sourced from PubChem (CID 10887881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).