EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BQC8BT7CJR
EPA CompTox	DTXSID901000559

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BQC8BT7CJR

EPA CompTox

DTXSID901000559


InChI Key	JYKLTPIGDOBKIA-UHFFFAOYSA-N
Smiles	NC1C(C)C(C)C(N)C(C)C1C
InChI	InChI=1/C10H22N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h5-10H,11-12H2,1-4H3

InChI Key

JYKLTPIGDOBKIA-UHFFFAOYSA-N

Smiles

NC1C(C)C(C)C(N)C(C)C1C

InChI

InChI=1/C10H22N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h5-10H,11-12H2,1-4H3

Property Name	Value
Molecular Formula	C10H22N2
Molecular Weight	170.18
AlogP	1.2
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.04
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H22N2

Molecular Weight

170.18

AlogP

1.2

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.04

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	79516-40-8
NORMAN SUSDAT
FDA SRS	BQC8BT7CJR
PubChem	3018838

Resources

Reference

CAS NUMBER

79516-40-8

NORMAN SUSDAT

FDA SRS

BQC8BT7CJR

PubChem

3018838

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

2,3,5,6-TETRAMETHYLCYCLOHEXANE-1,4-DIAMINE

Structure

Physicochemical Descriptors

Cross References