EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6070304

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6070304


InChI Key	RCOYCXLWCWNBHP-UHFFFAOYSA-N
Smiles	CCCCCCCCCC(=O)NCCNCCN
InChI	InChI=1S/C14H31N3O/c1-2-3-4-5-6-7-8-9-14(18)17-13-12-16-11-10-15/h16H,2-13,15H2,1H3,(H,17,18)

InChI Key

RCOYCXLWCWNBHP-UHFFFAOYSA-N

Smiles

CCCCCCCCCC(=O)NCCNCCN

InChI

InChI=1S/C14H31N3O/c1-2-3-4-5-6-7-8-9-14(18)17-13-12-16-11-10-15/h16H,2-13,15H2,1H3,(H,17,18)

Property Name	Value
Molecular Formula	C14H31N3O1
Molecular Weight	257.25
AlogP	2.63
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	13.0
Polar Surface Area	70.64
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H31N3O1

Molecular Weight

257.25

AlogP

2.63

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

13.0

Polar Surface Area

70.64

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	65308-76-1
NORMAN SUSDAT
PubChem	103358
ChemSpider	93326.0

Resources

Reference

CAS NUMBER

65308-76-1

NORMAN SUSDAT

PubChem

103358

ChemSpider

93326.0

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

DECANOIC ACID, MONOAMIDE WITH N-(2-AMINOETHYL)-1,2-ETHANEDIAMINE

Structure

Physicochemical Descriptors

Cross References