acetic acid;2-(2-aminoethylamino)ethanol

C6H16N2O3 — CID 87485806

IUPACacetic acid;2-(2-aminoethylamino)ethanol
SMILESCC(=O)O.NCCNCCO
InChIInChI=1S/C4H12N2O.C2H4O2/c5-1-2-6-3-4-7;1-2(3)4/h6-7H,1-5H2;1H3,(H,3,4)
InChIKeyAHVQKVFHSGJLPS-UHFFFAOYSA-N
MW164.21 g/mol
LogP-1.38
Rot. Bonds4

About acetic acid;2-(2-aminoethylamino)ethanol

acetic acid;2-(2-aminoethylamino)ethanol (PubChem CID 87485806) has the molecular formula C6H16N2O3 and a molecular weight of 164.21 g/mol. Its IUPAC name is acetic acid;2-(2-aminoethylamino)ethanol.

Molecular Properties

Compound Nameacetic acid;2-(2-aminoethylamino)ethanol
PubChem CID87485806
Molecular FormulaC6H16N2O3
Molecular Weight164.21 g/mol
Exact Mass164.12
IUPAC Nameacetic acid;2-(2-aminoethylamino)ethanol
SMILESCC(=O)O.NCCNCCO
InChIInChI=1S/C4H12N2O.C2H4O2/c5-1-2-6-3-4-7;1-2(3)4/h6-7H,1-5H2;1H3,(H,3,4)
InChIKeyAHVQKVFHSGJLPS-UHFFFAOYSA-N
XLogP-1.38
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-aminoethylamino)ethanol?
The IUPAC name of acetic acid;2-(2-aminoethylamino)ethanol (CID 87485806) is acetic acid;2-(2-aminoethylamino)ethanol.
What is the SMILES notation for acetic acid;2-(2-aminoethylamino)ethanol?
The canonical SMILES for acetic acid;2-(2-aminoethylamino)ethanol is CC(=O)O.NCCNCCO.
What is the InChIKey of acetic acid;2-(2-aminoethylamino)ethanol?
The InChIKey is AHVQKVFHSGJLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.C2H4O2/c5-1-2-6-3-4-7;1-2(3)4/h6-7H,1-5H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-aminoethylamino)ethanol?
acetic acid;2-(2-aminoethylamino)ethanol has a molecular weight of 164.21 g/mol, XLogP of -1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-aminoethylamino)ethanol is sourced from PubChem (CID 87485806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).