EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H9L3OD4AA3
EPA CompTox	DTXSID10239905

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H9L3OD4AA3

EPA CompTox

DTXSID10239905


InChI Key	MLNYDAYLTYEMME-UHFFFAOYSA-N
Smiles	CN(C)CC(CN(C)C)OCCO
InChI	InChI=1S/C9H22N2O2/c1-10(2)7-9(8-11(3)4)13-6-5-12/h9,12H,5-8H2,1-4H3

InChI Key

MLNYDAYLTYEMME-UHFFFAOYSA-N

Smiles

CN(C)CC(CN(C)C)OCCO

InChI

InChI=1S/C9H22N2O2/c1-10(2)7-9(8-11(3)4)13-6-5-12/h9,12H,5-8H2,1-4H3

Property Name	Value
Molecular Formula	C9H22N2O2
Molecular Weight	190.17
AlogP	-0.51
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	35.94
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H22N2O2

Molecular Weight

190.17

AlogP

-0.51

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

35.94

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	93940-10-4
NORMAN SUSDAT
FDA SRS	H9L3OD4AA3
PubChem	3022961
ChemSpider	2289305.0

Resources

Reference

CAS NUMBER

93940-10-4

NORMAN SUSDAT

FDA SRS

H9L3OD4AA3

PubChem

3022961

ChemSpider

2289305.0

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-(DIMETHYLAMINO)-1-((DIMETHYLAMINO)METHYL)ETHOXY)ETHANOL

Structure

Physicochemical Descriptors

Cross References