EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M8V86PC83F
EPA CompTox	DTXSID40212327

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M8V86PC83F

EPA CompTox

DTXSID40212327


InChI Key	IFZVQNMIQKLTKI-UHFFFAOYSA-N
Smiles	CCNCCc1ncccc1
InChI	InChI=1S/C9H14N2/c1-2-10-8-6-9-5-3-4-7-11-9/h3-5,7,10H,2,6,8H2,1H3

InChI Key

IFZVQNMIQKLTKI-UHFFFAOYSA-N

Smiles

CCNCCc1ncccc1

InChI

InChI=1S/C9H14N2/c1-2-10-8-6-9-5-3-4-7-11-9/h3-5,7,10H,2,6,8H2,1H3

Property Name	Value
Molecular Formula	C9H14N2
Molecular Weight	150.12
AlogP	1.23
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	24.92
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C9H14N2

Molecular Weight

150.12

AlogP

1.23

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

24.92

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	6304-26-3
NORMAN SUSDAT
FDA SRS	M8V86PC83F
PubChem	80553
ChemSpider	72746.0

Resources

Reference

CAS NUMBER

6304-26-3

NORMAN SUSDAT

FDA SRS

M8V86PC83F

PubChem

80553

ChemSpider

72746.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

N-ETHYLPYRIDINE-2-ETHYLAMINE

Structure

Physicochemical Descriptors

Cross References