2,2-bis(ethylamino)ethanol

C6H16N2O — CID 15606959

IUPAC2,2-bis(ethylamino)ethanol
SMILESCCNC(CO)NCC
InChIInChI=1S/C6H16N2O/c1-3-7-6(5-9)8-4-2/h6-9H,3-5H2,1-2H3
InChIKeyXIGPONCZHZOZGL-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.48
Rot. Bonds5

About 2,2-bis(ethylamino)ethanol

2,2-bis(ethylamino)ethanol (PubChem CID 15606959) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2,2-bis(ethylamino)ethanol.

Molecular Properties

Compound Name2,2-bis(ethylamino)ethanol
PubChem CID15606959
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2,2-bis(ethylamino)ethanol
SMILESCCNC(CO)NCC
InChIInChI=1S/C6H16N2O/c1-3-7-6(5-9)8-4-2/h6-9H,3-5H2,1-2H3
InChIKeyXIGPONCZHZOZGL-UHFFFAOYSA-N
XLogP-0.48
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
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 2,2-bis(ethylamino)ethanol?
The IUPAC name of 2,2-bis(ethylamino)ethanol (CID 15606959) is 2,2-bis(ethylamino)ethanol.
What is the SMILES notation for 2,2-bis(ethylamino)ethanol?
The canonical SMILES for 2,2-bis(ethylamino)ethanol is CCNC(CO)NCC.
What is the InChIKey of 2,2-bis(ethylamino)ethanol?
The InChIKey is XIGPONCZHZOZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-3-7-6(5-9)8-4-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,2-bis(ethylamino)ethanol?
2,2-bis(ethylamino)ethanol has a molecular weight of 132.21 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylamino)ethanol is sourced from PubChem (CID 15606959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).