EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D97F4TJ6KE
EPA CompTox	DTXSID50216715

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D97F4TJ6KE

EPA CompTox

DTXSID50216715


InChI Key	UOKAAQYLBYQAJK-UHFFFAOYSA-N
Smiles	Cc1ccc2CCCCCCCCCCc2n1
InChI	InChI=1S/C16H25N/c1-14-12-13-15-10-8-6-4-2-3-5-7-9-11-16(15)17-14/h12-13H,2-11H2,1H3

InChI Key

UOKAAQYLBYQAJK-UHFFFAOYSA-N

Smiles

Cc1ccc2CCCCCCCCCCc2n1

InChI

InChI=1S/C16H25N/c1-14-12-13-15-10-8-6-4-2-3-5-7-9-11-16(15)17-14/h12-13H,2-11H2,1H3

Property Name	Value
Molecular Formula	C16H25N1
Molecular Weight	231.2
AlogP	4.61
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C16H25N1

Molecular Weight

231.2

AlogP

4.61

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	66510-53-0
NORMAN SUSDAT
FDA SRS	D97F4TJ6KE
PubChem	6455332
ChemSpider	4957601.0

Resources

Reference

CAS NUMBER

66510-53-0

NORMAN SUSDAT

FDA SRS

D97F4TJ6KE

PubChem

6455332

ChemSpider

4957601.0

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

5,6,7,8,9,10,11,12,13,14-DECAHYDRO-2-METHYLCYCLODODECA(B)PYRIDINE

Structure

Physicochemical Descriptors

Cross References