EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Free-form
EPA CompTox	DTXSID60147581

Keyword(s):

Human Neurotoxin

Molecule Category

Free-form

EPA CompTox

DTXSID60147581


InChI Key	CQIZBIFTOGBKDB-UHFFFAOYSA-N
Smiles	CN1CCC(=CC1)C1CCCCC1
InChI	InChI=1S/C12H21N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7,11H,2-6,8-10H2,1H3

InChI Key

CQIZBIFTOGBKDB-UHFFFAOYSA-N

Smiles

CN1CCC(=CC1)C1CCCCC1

InChI

InChI=1S/C12H21N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7,11H,2-6,8-10H2,1H3

Property Name	Value
Molecular Formula	C12H21N
Molecular Weight	179.17
AlogP	2.83
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	3.24
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C12H21N

Molecular Weight

179.17

AlogP

2.83

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

3.24

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	106351-84-2
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

106351-84-2

NORMAN SUSDAT

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-METHYL-4-CYCLOHEXYL-1,2,3,6-TETRAHYDROPYRIDINE

Structure

Physicochemical Descriptors

Cross References