2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol

C9H22N2O3 — CID 118332539

IUPAC2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol
SMILESCCCN(CCO)N(CCO)CCO
InChIInChI=1S/C9H22N2O3/c1-2-3-10(4-7-12)11(5-8-13)6-9-14/h12-14H,2-9H2,1H3
InChIKeyKVBTZXDLPDWSML-UHFFFAOYSA-N
MW206.29 g/mol
LogP-1.11
Rot. Bonds9

About 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol

2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol (PubChem CID 118332539) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol
PubChem CID118332539
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol
SMILESCCCN(CCO)N(CCO)CCO
InChIInChI=1S/C9H22N2O3/c1-2-3-10(4-7-12)11(5-8-13)6-9-14/h12-14H,2-9H2,1H3
InChIKeyKVBTZXDLPDWSML-UHFFFAOYSA-N
XLogP-1.11
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol (CID 118332539) is 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol is CCCN(CCO)N(CCO)CCO.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol?
The InChIKey is KVBTZXDLPDWSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c1-2-3-10(4-7-12)11(5-8-13)6-9-14/h12-14H,2-9H2,1H3.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol?
2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol has a molecular weight of 206.29 g/mol, XLogP of -1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol is sourced from PubChem (CID 118332539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).