EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CHS5Z2B46C
EPA CompTox	DTXSID40232964

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CHS5Z2B46C

EPA CompTox

DTXSID40232964


InChI Key	AAGUVQQKGCSYKO-UHFFFAOYSA-N
Smiles	NCCN(CCO)CCN(CCO)CCO
InChI	InChI=1S/C10H25N3O3/c11-1-2-12(5-8-14)3-4-13(6-9-15)7-10-16/h14-16H,1-11H2

InChI Key

AAGUVQQKGCSYKO-UHFFFAOYSA-N

Smiles

NCCN(CCO)CCN(CCO)CCO

InChI

InChI=1S/C10H25N3O3/c11-1-2-12(5-8-14)3-4-13(6-9-15)7-10-16/h14-16H,1-11H2

Property Name	Value
Molecular Formula	C10H25N3O3
Molecular Weight	235.19
AlogP	-2.47
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	11.0
Polar Surface Area	93.19
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H25N3O3

Molecular Weight

235.19

AlogP

-2.47

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

11.0

Polar Surface Area

93.19

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	84083-24-9
NORMAN SUSDAT
FDA SRS	CHS5Z2B46C
PubChem	44149096
ChemSpider	21163996.0

Resources

Reference

CAS NUMBER

84083-24-9

NORMAN SUSDAT

FDA SRS

CHS5Z2B46C

PubChem

44149096

ChemSpider

21163996.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2,2'-((2-((2-AMINOETHYL)(2-HYDROXYETHYL)AMINO)ETHYL)IMINO)BISETHANOL

Structure

Physicochemical Descriptors

Cross References