EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7HZS7JKT2K
EPA CompTox	DTXSID00880445

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7HZS7JKT2K

EPA CompTox

DTXSID00880445


InChI Key	JPNCZSADMGXVPA-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCOCCCN
InChI	InChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-17H2,1H3

InChI Key

JPNCZSADMGXVPA-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCOCCCN

InChI

InChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-17H2,1H3

Property Name	Value
Molecular Formula	C16H35N1O1
Molecular Weight	257.27
AlogP	4.66
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	35.25
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C16H35N1O1

Molecular Weight

257.27

AlogP

4.66

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

35.25

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	14676-61-0
NORMAN SUSDAT
FDA SRS	7HZS7JKT2K
PubChem	84589

Resources

Reference

CAS NUMBER

14676-61-0

NORMAN SUSDAT

FDA SRS

7HZS7JKT2K

PubChem

84589

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

3-(TRIDECYLOXY)-1-PROPANAMINE

Structure

Physicochemical Descriptors

Cross References