EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RI95G6J8FF
EPA CompTox	DTXSID6044727

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RI95G6J8FF

EPA CompTox

DTXSID6044727


InChI Key	GSCCALZHGUWNJW-UHFFFAOYSA-N
Smiles	CN(C1CCCCC1)C1CCCCC1
InChI	InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3

InChI Key

GSCCALZHGUWNJW-UHFFFAOYSA-N

Smiles

CN(C1CCCCC1)C1CCCCC1

InChI

InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3

Property Name	Value
Molecular Formula	C13H25N1
Molecular Weight	195.2
AlogP	3.58
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	3.24
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H25N1

Molecular Weight

195.2

AlogP

3.58

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

3.24

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	7560-83-0
NORMAN SUSDAT
FDA SRS	RI95G6J8FF
PubChem	24210
ChemSpider	22632.0

Resources

Reference

CAS NUMBER

7560-83-0

NORMAN SUSDAT

FDA SRS

RI95G6J8FF

PubChem

24210

ChemSpider

22632.0

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-CYCLOHEXYL-N-METHYLCYCLOHEXANAMINE

Structure

Physicochemical Descriptors

Cross References