EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	N42JZ599EC
EPA CompTox	DTXSID10231580

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

N42JZ599EC

EPA CompTox

DTXSID10231580


InChI Key	KPRGCHOFIFFEST-UHFFFAOYSA-N
Smiles	CN(C)CCCN(C)CCO
InChI	InChI=1S/C8H20N2O/c1-9(2)5-4-6-10(3)7-8-11/h11H,4-8H2,1-3H3

InChI Key

KPRGCHOFIFFEST-UHFFFAOYSA-N

Smiles

CN(C)CCCN(C)CCO

InChI

InChI=1S/C8H20N2O/c1-9(2)5-4-6-10(3)7-8-11/h11H,4-8H2,1-3H3

Property Name	Value
Molecular Formula	C8H20N2O1
Molecular Weight	160.16
AlogP	-0.14
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	26.71
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H20N2O1

Molecular Weight

160.16

AlogP

-0.14

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

26.71

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	82136-26-3
NORMAN SUSDAT
FDA SRS	N42JZ599EC
PubChem	3086144
ChemSpider	2342841.0

Resources

Reference

CAS NUMBER

82136-26-3

NORMAN SUSDAT

FDA SRS

N42JZ599EC

PubChem

3086144

ChemSpider

2342841.0

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-((3-(DIMETHYLAMINO)PROPYL)METHYLAMINO)ETHANOL

Structure

Physicochemical Descriptors

Cross References