EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	97YHT8HA3Q
EPA CompTox	DTXSID80188779

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

97YHT8HA3Q

EPA CompTox

DTXSID80188779


InChI Key	PWNDYKKNXVKQJO-UHFFFAOYSA-N
Smiles	CCCCN(CCN)CCCC
InChI	InChI=1S/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3

InChI Key

PWNDYKKNXVKQJO-UHFFFAOYSA-N

Smiles

CCCCN(CCN)CCCC

InChI

InChI=1S/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3

Property Name	Value
Molecular Formula	C10H24N2
Molecular Weight	172.19
AlogP	1.85
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	29.26
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H24N2

Molecular Weight

172.19

AlogP

1.85

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

29.26

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	3529-09-7
NORMAN SUSDAT
FDA SRS	97YHT8HA3Q
PubChem	77062
ChemSpider	69508.0

Resources

Reference

CAS NUMBER

3529-09-7

NORMAN SUSDAT

FDA SRS

97YHT8HA3Q

PubChem

77062

ChemSpider

69508.0

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-DIBUTYLETHYLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References