EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80181008

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80181008


InChI Key	SXRZZKRPPUYMMG-UHFFFAOYSA-N
Smiles	CC1(C)N(CCCN)C(=O)N(CCCN)C1=O
InChI	InChI=1S/C11H22N4O2/c1-11(2)9(16)14(7-3-5-12)10(17)15(11)8-4-6-13/h3-8,12-13H2,1-2H3

InChI Key

SXRZZKRPPUYMMG-UHFFFAOYSA-N

Smiles

CC1(C)N(CCCN)C(=O)N(CCCN)C1=O

InChI

InChI=1S/C11H22N4O2/c1-11(2)9(16)14(7-3-5-12)10(17)15(11)8-4-6-13/h3-8,12-13H2,1-2H3

Property Name	Value
Molecular Formula	C11H22N4O2
Molecular Weight	242.17
AlogP	-0.27
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	92.66
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C11H22N4O2

Molecular Weight

242.17

AlogP

-0.27

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

92.66

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	26412-79-3
NORMAN SUSDAT
PubChem	3015273
ChemSpider	2283440.0

Resources

Reference

CAS NUMBER

26412-79-3

NORMAN SUSDAT

PubChem

3015273

ChemSpider

2283440.0

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...

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Last update: Monday, 3 November 2025

1,3-BIS(3-AMINOPROPYL)-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE

Structure

Physicochemical Descriptors

Cross References