EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7RKI59424O
EPA CompTox	DTXSID7067954

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7RKI59424O

EPA CompTox

DTXSID7067954


InChI Key	MTEKQDXWVXZMDN-UHFFFAOYSA-N
Smiles	CCCCCCCC1=NCCN1CCO
InChI	InChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15/h15H,2-11H2,1H3

InChI Key

MTEKQDXWVXZMDN-UHFFFAOYSA-N

Smiles

CCCCCCCC1=NCCN1CCO

InChI

InChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15/h15H,2-11H2,1H3

Property Name	Value
Molecular Formula	C12H24N2O1
Molecular Weight	212.19
AlogP	2.05
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	35.83
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H24N2O1

Molecular Weight

212.19

AlogP

2.05

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

35.83

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	36060-61-4
NORMAN SUSDAT
FDA SRS	7RKI59424O
PubChem	118904
ChemSpider	106249.0

Resources

Reference

CAS NUMBER

36060-61-4

NORMAN SUSDAT

FDA SRS

7RKI59424O

PubChem

118904

ChemSpider

106249.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1H-IMIDAZOLE-1-ETHANOL, 2-HEPTYL-4,5-DIHYDRO-

Structure

Physicochemical Descriptors

Cross References