EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8F5URY663Q
EPA CompTox	DTXSID00950738

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8F5URY663Q

EPA CompTox

DTXSID00950738


InChI Key	OQADVBLQZQTGLL-UHFFFAOYSA-N
Smiles	N(C)(C)CC(CC)CCCC
InChI	InChI=1/C10H23N/c1-5-7-8-10(6-2)9-11(3)4/h10H,5-9H2,1-4H3

InChI Key

OQADVBLQZQTGLL-UHFFFAOYSA-N

Smiles

N(C)(C)CC(CC)CCCC

InChI

InChI=1/C10H23N/c1-5-7-8-10(6-2)9-11(3)4/h10H,5-9H2,1-4H3

Property Name	Value
Molecular Formula	C10H23N
Molecular Weight	157.18
AlogP	2.76
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	3.24
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H23N

Molecular Weight

157.18

AlogP

2.76

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

3.24

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	28056-87-3
NORMAN SUSDAT
FDA SRS	8F5URY663Q
PubChem	119633

Resources

Reference

CAS NUMBER

28056-87-3

NORMAN SUSDAT

FDA SRS

8F5URY663Q

PubChem

119633

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

2-ETHYL-N,N-DIMETHYLHEXYLAMINE

Structure

Physicochemical Descriptors

Cross References