EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UCQ72RDP97
EPA CompTox	DTXSID20174515

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UCQ72RDP97

EPA CompTox

DTXSID20174515


InChI Key	GYUKZDZTBTXSHL-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCC1=NCCN1CCN
InChI	InChI=1S/C20H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h2-19,21H2,1H3

InChI Key

GYUKZDZTBTXSHL-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC1=NCCN1CCN

InChI

InChI=1S/C20H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h2-19,21H2,1H3

Property Name	Value
Molecular Formula	C20H41N3
Molecular Weight	323.33
AlogP	5.14
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	41.62
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C20H41N3

Molecular Weight

323.33

AlogP

5.14

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

41.62

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	20513-80-8
NORMAN SUSDAT
FDA SRS	UCQ72RDP97
PubChem	88581
ChemSpider	79924.0

Resources

Reference

CAS NUMBER

20513-80-8

NORMAN SUSDAT

FDA SRS

UCQ72RDP97

PubChem

88581

ChemSpider

79924.0

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

4,5-DIHYDRO-2-PENTADECYL-1H-IMIDAZOLE-1-ETHYLAMINE

Structure

Physicochemical Descriptors

Cross References