EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HJD75C9L2X
EPA CompTox	DTXSID10188621

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HJD75C9L2X

EPA CompTox

DTXSID10188621


InChI Key	ZJXMKPARTVOUAM-UHFFFAOYSA-N
Smiles	Cc1cc(N)cc(C)n1
InChI	InChI=1S/C7H10N2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3,(H2,8,9)

InChI Key

ZJXMKPARTVOUAM-UHFFFAOYSA-N

Smiles

Cc1cc(N)cc(C)n1

InChI

InChI=1S/C7H10N2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3,(H2,8,9)

Property Name	Value
Molecular Formula	C7H10N2
Molecular Weight	122.08
AlogP	1.11
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Polar Surface Area	39.64
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H10N2

Molecular Weight

122.08

AlogP

1.11

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Polar Surface Area

39.64

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	3512-80-9
NORMAN SUSDAT
FDA SRS	HJD75C9L2X
PubChem	77047
ChemSpider	69493.0

Resources

Reference

CAS NUMBER

3512-80-9

NORMAN SUSDAT

FDA SRS

HJD75C9L2X

PubChem

77047

ChemSpider

69493.0

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

2,6-DIMETHYLPYRIDIN-4-AMINE

Structure

Physicochemical Descriptors

Cross References