2-amino-2-(diethylamino)ethanol

C6H16N2O — CID 18921421

IUPAC2-amino-2-(diethylamino)ethanol
SMILESCCN(CC)C(N)CO
InChIInChI=1S/C6H16N2O/c1-3-8(4-2)6(7)5-9/h6,9H,3-5,7H2,1-2H3
InChIKeyOXXMEMQCKLEZEH-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.39
Rot. Bonds4

About 2-amino-2-(diethylamino)ethanol

2-amino-2-(diethylamino)ethanol (PubChem CID 18921421) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-amino-2-(diethylamino)ethanol.

Molecular Properties

Compound Name2-amino-2-(diethylamino)ethanol
PubChem CID18921421
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2-amino-2-(diethylamino)ethanol
SMILESCCN(CC)C(N)CO
InChIInChI=1S/C6H16N2O/c1-3-8(4-2)6(7)5-9/h6,9H,3-5,7H2,1-2H3
InChIKeyOXXMEMQCKLEZEH-UHFFFAOYSA-N
XLogP-0.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-2-(diethylamino)ethanol?
The IUPAC name of 2-amino-2-(diethylamino)ethanol (CID 18921421) is 2-amino-2-(diethylamino)ethanol.
What is the SMILES notation for 2-amino-2-(diethylamino)ethanol?
The canonical SMILES for 2-amino-2-(diethylamino)ethanol is CCN(CC)C(N)CO.
What is the InChIKey of 2-amino-2-(diethylamino)ethanol?
The InChIKey is OXXMEMQCKLEZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-3-8(4-2)6(7)5-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-amino-2-(diethylamino)ethanol?
2-amino-2-(diethylamino)ethanol has a molecular weight of 132.21 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(diethylamino)ethanol is sourced from PubChem (CID 18921421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).