EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HX6F3WC72J
EPA CompTox	DTXSID90863207

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HX6F3WC72J

EPA CompTox

DTXSID90863207


InChI Key	QEYHZXNEIGHKAV-UHFFFAOYSA-N
Smiles	CN(C)C1(C)C2CCC(C2)C1(C)C
InChI	InChI=1S/C12H23N/c1-11(2)9-6-7-10(8-9)12(11,3)13(4)5/h9-10H,6-8H2,1-5H3

InChI Key

QEYHZXNEIGHKAV-UHFFFAOYSA-N

Smiles

CN(C)C1(C)C2CCC(C2)C1(C)C

InChI

InChI=1S/C12H23N/c1-11(2)9-6-7-10(8-9)12(11,3)13(4)5/h9-10H,6-8H2,1-5H3

Property Name	Value
Molecular Formula	C12H23N1
Molecular Weight	181.18
AlogP	2.76
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

C12H23N1

Molecular Weight

181.18

AlogP

2.76

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

3.24

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	3570-07-8
NORMAN SUSDAT
FDA SRS	HX6F3WC72J

Resources

Reference

CAS NUMBER

3570-07-8

NORMAN SUSDAT

FDA SRS

HX6F3WC72J

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

DIMECAMINE

Structure

Physicochemical Descriptors

Cross References