1-[bis(1-hydroxyethyl)amino]ethanol

C6H15NO3 — CID 17383

IUPAC1-[bis(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(C(C)O)C(C)O
InChIInChI=1S/C6H15NO3/c1-4(8)7(5(2)9)6(3)10/h4-6,8-10H,1-3H3
InChIKeyUKQXHQKJKZJZLZ-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.70
Rot. Bonds3

About 1-[bis(1-hydroxyethyl)amino]ethanol

1-[bis(1-hydroxyethyl)amino]ethanol (PubChem CID 17383) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]ethanol
PubChem CID17383
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name1-[bis(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(C(C)O)C(C)O
InChIInChI=1S/C6H15NO3/c1-4(8)7(5(2)9)6(3)10/h4-6,8-10H,1-3H3
InChIKeyUKQXHQKJKZJZLZ-UHFFFAOYSA-N
XLogP-0.70
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
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-[bis(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol (CID 17383) is 1-[bis(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]ethanol is CC(O)N(C(C)O)C(C)O.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]ethanol?
The InChIKey is UKQXHQKJKZJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-4(8)7(5(2)9)6(3)10/h4-6,8-10H,1-3H3.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]ethanol?
1-[bis(1-hydroxyethyl)amino]ethanol has a molecular weight of 149.19 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 17383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).