EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20941880

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20941880


InChI Key	WYKDLBVWXHCAJC-UHFFFAOYSA-N
Smiles	OCCCN1CCN(CCCO)CCC1
InChI	InChI=1/C11H24N2O2/c14-10-2-6-12-4-1-5-13(9-8-12)7-3-11-15/h14-15H,1-11H2

InChI Key

WYKDLBVWXHCAJC-UHFFFAOYSA-N

Smiles

OCCCN1CCN(CCCO)CCC1

InChI

InChI=1/C11H24N2O2/c14-10-2-6-12-4-1-5-13(9-8-12)7-3-11-15/h14-15H,1-11H2

Property Name	Value
Molecular Formula	C11H24N2O2
Molecular Weight	216.18
AlogP	-0.24
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	46.94
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H24N2O2

Molecular Weight

216.18

AlogP

-0.24

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

46.94

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	19970-80-0
NORMAN SUSDAT
PubChem	88322

Resources

Reference

CAS NUMBER

19970-80-0

NORMAN SUSDAT

PubChem

88322

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

TETRAHYDRO-1H-1,4-DIAZEPINE-1,4(5H)-DIPROPANOL

Structure

Physicochemical Descriptors

Cross References