EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID1049352

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID1049352


InChI Key	CCEYVAPCYYFRMO-UHFFFAOYSA-N
Smiles	CCCCCCCCCCn1cc[n+](CCCCCCCCCC)c1C
InChI	InChI=1S/C24H47N2/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2/h22-23H,4-21H2,1-3H3/q+1

InChI Key

CCEYVAPCYYFRMO-UHFFFAOYSA-N

Smiles

CCCCCCCCCCn1cc[n+](CCCCCCCCCC)c1C

InChI

InChI=1S/C24H47N2/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2/h22-23H,4-21H2,1-3H3/q+1

Property Name	Value
Molecular Formula	C24H47N2
Molecular Weight	363.37
AlogP	7.37
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	18.0
Polar Surface Area	8.81
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C24H47N2

Molecular Weight

363.37

AlogP

7.37

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

18.0

Polar Surface Area

8.81

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	70862-65-6
NORMAN SUSDAT
PubChem	2775941
ChemSpider	2056268.0

Resources

Reference

CAS NUMBER

70862-65-6

NORMAN SUSDAT

PubChem

2775941

ChemSpider

2056268.0

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

1,3-DIDECYL-2-METHYLIMIDAZOLIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References