EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QA596YZ6G3
EPA CompTox	DTXSID90210297

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QA596YZ6G3

EPA CompTox

DTXSID90210297


InChI Key	QYHRIASMJNLWHJ-UHFFFAOYSA-N
Smiles	NN1CCN(CC1)C1CCCC1
InChI	InChI=1S/C9H19N3/c10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8,10H2

InChI Key

QYHRIASMJNLWHJ-UHFFFAOYSA-N

Smiles

NN1CCN(CC1)C1CCCC1

InChI

InChI=1S/C9H19N3/c10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8,10H2

Property Name	Value
Molecular Formula	C9H19N3
Molecular Weight	169.16
AlogP	0.42
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	32.5
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H19N3

Molecular Weight

169.16

AlogP

0.42

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

32.5

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	61379-64-4
NORMAN SUSDAT
FDA SRS	QA596YZ6G3
PubChem	1512485
ChemSpider	1245039.0

Resources

Reference

CAS NUMBER

61379-64-4

NORMAN SUSDAT

FDA SRS

QA596YZ6G3

PubChem

1512485

ChemSpider

1245039.0

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-CYCLOPENTYLPIPERAZIN-1-AMINE

Structure

Physicochemical Descriptors

Cross References