EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EH1K88L67U
EPA CompTox	DTXSID40204560

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EH1K88L67U

EPA CompTox

DTXSID40204560


InChI Key	MIVJGAUBYOKSHE-UHFFFAOYSA-N
Smiles	CC(C)CCCCCCN(C)C
InChI	InChI=1S/C11H25N/c1-11(2)9-7-5-6-8-10-12(3)4/h11H,5-10H2,1-4H3

InChI Key

MIVJGAUBYOKSHE-UHFFFAOYSA-N

Smiles

CC(C)CCCCCCN(C)C

InChI

InChI=1S/C11H25N/c1-11(2)9-7-5-6-8-10-12(3)4/h11H,5-10H2,1-4H3

Property Name	Value
Molecular Formula	C11H25N1
Molecular Weight	171.2
AlogP	3.15
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	3.24
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C11H25N1

Molecular Weight

171.2

AlogP

3.15

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

3.24

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	55992-60-4
NORMAN SUSDAT
FDA SRS	EH1K88L67U
PubChem	91970
ChemSpider	83043.0

Resources

Reference

CAS NUMBER

55992-60-4

NORMAN SUSDAT

FDA SRS

EH1K88L67U

PubChem

91970

ChemSpider

83043.0

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,N-DIMETHYLISONONYLAMINE

Structure

Physicochemical Descriptors

Cross References