1-amino-1-(1-hydroxyethylamino)ethanol

C4H12N2O2 — CID 57311294

IUPAC1-amino-1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(C)(N)O
InChIInChI=1S/C4H12N2O2/c1-3(7)6-4(2,5)8/h3,6-8H,5H2,1-2H3
InChIKeyYQFLPCNFMYGGFY-UHFFFAOYSA-N
MW120.15 g/mol
LogP-1.46
Rot. Bonds2

About 1-amino-1-(1-hydroxyethylamino)ethanol

1-amino-1-(1-hydroxyethylamino)ethanol (PubChem CID 57311294) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 1-amino-1-(1-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name1-amino-1-(1-hydroxyethylamino)ethanol
PubChem CID57311294
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name1-amino-1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(C)(N)O
InChIInChI=1S/C4H12N2O2/c1-3(7)6-4(2,5)8/h3,6-8H,5H2,1-2H3
InChIKeyYQFLPCNFMYGGFY-UHFFFAOYSA-N
XLogP-1.46
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1-hydroxyethylamino)ethanol?
The IUPAC name of 1-amino-1-(1-hydroxyethylamino)ethanol (CID 57311294) is 1-amino-1-(1-hydroxyethylamino)ethanol.
What is the SMILES notation for 1-amino-1-(1-hydroxyethylamino)ethanol?
The canonical SMILES for 1-amino-1-(1-hydroxyethylamino)ethanol is CC(O)NC(C)(N)O.
What is the InChIKey of 1-amino-1-(1-hydroxyethylamino)ethanol?
The InChIKey is YQFLPCNFMYGGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c1-3(7)6-4(2,5)8/h3,6-8H,5H2,1-2H3.
What are the key properties of 1-amino-1-(1-hydroxyethylamino)ethanol?
1-amino-1-(1-hydroxyethylamino)ethanol has a molecular weight of 120.15 g/mol, XLogP of -1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1-hydroxyethylamino)ethanol is sourced from PubChem (CID 57311294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).