EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8A54A97YCR
EPA CompTox	DTXSID1061528

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8A54A97YCR

EPA CompTox

DTXSID1061528


InChI Key	BZDSNHCMPJUKOY-UHFFFAOYSA-N
Smiles	O=C(N1CCCCCC1)N2CCCCCC2
InChI	InChI=1S/C13H24N2O/c16-13(14-9-5-1-2-6-10-14)15-11-7-3-4-8-12-15/h1-12H2

InChI Key

BZDSNHCMPJUKOY-UHFFFAOYSA-N

Smiles

O=C(N1CCCCCC1)N2CCCCCC2

InChI

InChI=1S/C13H24N2O/c16-13(14-9-5-1-2-6-10-14)15-11-7-3-4-8-12-15/h1-12H2

Property Name	Value
Molecular Formula	C13H24N2O1
Molecular Weight	224.19
AlogP	2.86
Hydrogen Bond Acceptor	1.0
Polar Surface Area	23.55
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H24N2O1

Molecular Weight

224.19

AlogP

2.86

Hydrogen Bond Acceptor

1.0

Polar Surface Area

23.55

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	1122-56-1
NORMAN SUSDAT
FDA SRS	8A54A97YCR

Resources

Reference

CAS NUMBER

1122-56-1

NORMAN SUSDAT

FDA SRS

8A54A97YCR

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

CYCLOHEXAMETHYLENE CARBAMIDE

Structure

Physicochemical Descriptors

Cross References