EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9SJ2K327HZ
EPA CompTox	DTXSID0058510

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9SJ2K327HZ

EPA CompTox

DTXSID0058510


InChI Key	ADXNPXDFKKWVGE-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCN(C)C
InChI	InChI=1S/C15H33N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h4-15H2,1-3H3

InChI Key

ADXNPXDFKKWVGE-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCN(C)C

InChI

InChI=1S/C15H33N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h4-15H2,1-3H3

Property Name	Value
Molecular Formula	C15H33N1
Molecular Weight	227.26
AlogP	4.86
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	3.24
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H33N1

Molecular Weight

227.26

AlogP

4.86

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

3.24

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	17373-29-4
NORMAN SUSDAT
FDA SRS	9SJ2K327HZ
PubChem	87084
ChemSpider	78551.0

Resources

Reference

CAS NUMBER

17373-29-4

NORMAN SUSDAT

FDA SRS

9SJ2K327HZ

PubChem

87084

ChemSpider

78551.0

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,N-DIMETHYLTRIDECYLAMINE

Structure

Physicochemical Descriptors

Cross References