EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Y2977LU59G
EPA CompTox	DTXSID4066911

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Y2977LU59G

EPA CompTox

DTXSID4066911


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

InChI Key

JWTVQZQPKHXGFM-UHFFFAOYSA-N

Smiles

CC(C)(N)CCC(C)(C)N

InChI

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

Property Name	Value
Molecular Formula	C8H20N2
Molecular Weight	144.16
AlogP	1.24
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	52.04
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H20N2

Molecular Weight

144.16

AlogP

1.24

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

52.04

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	23578-35-0
NORMAN SUSDAT
FDA SRS	Y2977LU59G
PubChem	90189
ChemSpider	81421.0

Resources

Reference

CAS NUMBER

23578-35-0

NORMAN SUSDAT

FDA SRS

Y2977LU59G

PubChem

90189

ChemSpider

81421.0

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

2,5-HEXANEDIAMINE, 2,5-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References