EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JX88BAA25Y
EPA CompTox	DTXSID20202206

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JX88BAA25Y

EPA CompTox

DTXSID20202206


InChI Key	MAMUGDCJLAKCPT-UHFFFAOYSA-N
Smiles	C(NC1CCCCC1)c1c[nH]c2c1cccc2
InChI	InChI=1S/C15H20N2/c1-2-6-13(7-3-1)16-10-12-11-17-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16-17H,1-3,6-7,10H2

InChI Key

MAMUGDCJLAKCPT-UHFFFAOYSA-N

Smiles

C(NC1CCCCC1)c1c[nH]c2c1cccc2

InChI

InChI=1S/C15H20N2/c1-2-6-13(7-3-1)16-10-12-11-17-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16-17H,1-3,6-7,10H2

Property Name	Value
Molecular Formula	C15H20N2
Molecular Weight	228.16
AlogP	3.59
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	27.82
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H20N2

Molecular Weight

228.16

AlogP

3.59

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

27.82

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	53924-03-1
NORMAN SUSDAT
FDA SRS	JX88BAA25Y
PubChem	96438
ChemSpider	87059.0

Resources

Reference

CAS NUMBER

53924-03-1

NORMAN SUSDAT

FDA SRS

JX88BAA25Y

PubChem

96438

ChemSpider

87059.0

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-CYCLOHEXYL-1H-INDOLE-3-METHYLAMINE

Structure

Physicochemical Descriptors

Cross References