EcoDrugPlus


Keyword(s):	Indoor Environment Substances ; Surfactants
Molecule Category	Free-form
UNII	DJ0M4HZY00
EPA CompTox	DTXSID8048078

Keyword(s):

Indoor Environment Substances ; Surfactants

Molecule Category

Free-form

UNII

DJ0M4HZY00

EPA CompTox

DTXSID8048078


InChI Key	PDSVZUAJOIQXRK-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChI	InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1

InChI Key

PDSVZUAJOIQXRK-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1

Property Name	Value
Molecular Formula	C21H46N1
Molecular Weight	312.36
AlogP	6.95
Number of Rotational Bond	17.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C21H46N1

Molecular Weight

312.36

AlogP

6.95

Number of Rotational Bond

17.0

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	15461-40-2
NORMAN SUSDAT
FDA SRS	DJ0M4HZY00
PubChem	8156
ChemSpider	7864.0

Resources

Reference

CAS NUMBER

15461-40-2

NORMAN SUSDAT

FDA SRS

DJ0M4HZY00

PubChem

8156

ChemSpider

7864.0

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

N,N,N-TRIMETHYLOCTADECAN-1-AMINIUM

Structure

Physicochemical Descriptors

Cross References