EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4EBB9U823K
EPA CompTox	DTXSID8059344

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4EBB9U823K

EPA CompTox

DTXSID8059344


InChI Key	BWTBHGDNJBIYAQ-UHFFFAOYSA-N
Smiles	CCN(C)CCN(C)CC
InChI	InChI=1S/C8H20N2/c1-5-9(3)7-8-10(4)6-2/h5-8H2,1-4H3

InChI Key

BWTBHGDNJBIYAQ-UHFFFAOYSA-N

Smiles

CCN(C)CCN(C)CC

InChI

InChI=1S/C8H20N2/c1-5-9(3)7-8-10(4)6-2/h5-8H2,1-4H3

Property Name	Value
Molecular Formula	C8H20N2
Molecular Weight	144.16
AlogP	0.89
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	6.48
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H20N2

Molecular Weight

144.16

AlogP

0.89

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

6.48

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	106-66-1
NORMAN SUSDAT
FDA SRS	4EBB9U823K
PubChem	66942
ChemSpider	60301.0

Resources

Reference

CAS NUMBER

106-66-1

NORMAN SUSDAT

FDA SRS

4EBB9U823K

PubChem

66942

ChemSpider

60301.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1,2-ETHANEDIAMINE, N,N'-DIETHYL-N,N'-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References