EcoDrugPlus


Keyword(s):	Drinking Water Chemicals ; Natural Toxins
Molecule Category	Free-form
UNII	N390W430AC
EPA CompTox	DTXSID00274188

Keyword(s):

Drinking Water Chemicals ; Natural Toxins

Molecule Category

Free-form

UNII

N390W430AC

EPA CompTox

DTXSID00274188


InChI Key	ZSBXGIUJOOQZMP-JLNYLFASSA-N
Smiles	C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1
InChI	InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1

InChI Key

ZSBXGIUJOOQZMP-JLNYLFASSA-N

Smiles

C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1

InChI

InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1

Property Name	Value
Molecular Formula	C15H24N2O
Molecular Weight	248.19
AlogP	1.87
Hydrogen Bond Acceptor	2.0
Polar Surface Area	23.55
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H24N2O

Molecular Weight

248.19

AlogP

1.87

Hydrogen Bond Acceptor

2.0

Polar Surface Area

23.55

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	519-02-8
NORMAN SUSDAT
FDA SRS	N390W430AC
PubChem	91466
ChemSpider	82591.0

Resources

Reference

CAS NUMBER

519-02-8

NORMAN SUSDAT

FDA SRS

N390W430AC

PubChem

91466

ChemSpider

82591.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

MATRINE

Structure

Physicochemical Descriptors

Cross References