EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	18Q95U3Z8H
EPA CompTox	DTXSID9022231

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

18Q95U3Z8H

EPA CompTox

DTXSID9022231


InChI Key	PSHKMPUSSFXUIA-UHFFFAOYSA-N
Smiles	CN(C)c1ncccc1
InChI	InChI=1S/C7H10N2/c1-9(2)7-5-3-4-6-8-7/h3-6H,1-2H3

InChI Key

PSHKMPUSSFXUIA-UHFFFAOYSA-N

Smiles

CN(C)c1ncccc1

InChI

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

Property Name	Value
Molecular Formula	C7H10N2
Molecular Weight	122.08
AlogP	1.15
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	16.13
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H10N2

Molecular Weight

122.08

AlogP

1.15

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

16.13

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	5683-33-0
NORMAN SUSDAT
FDA SRS	18Q95U3Z8H
PubChem	21885
ChemSpider	20570.0

Resources

Reference

CAS NUMBER

5683-33-0

NORMAN SUSDAT

FDA SRS

18Q95U3Z8H

PubChem

21885

ChemSpider

20570.0

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-DIMETHYLAMINOPYRIDINE

Structure

Physicochemical Descriptors

Cross References