EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90239903

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90239903


InChI Key	SHFIYHIFUJSPCA-UHFFFAOYSA-N
Smiles	CCCCCCC(C)(C)C1=NCCN1CCN
InChI	InChI=1S/C14H29N3/c1-4-5-6-7-8-14(2,3)13-16-10-12-17(13)11-9-15/h4-12,15H2,1-3H3

InChI Key

SHFIYHIFUJSPCA-UHFFFAOYSA-N

Smiles

CCCCCCC(C)(C)C1=NCCN1CCN

InChI

InChI=1S/C14H29N3/c1-4-5-6-7-8-14(2,3)13-16-10-12-17(13)11-9-15/h4-12,15H2,1-3H3

Property Name	Value
Molecular Formula	C14H29N3
Molecular Weight	239.24
AlogP	2.66
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	41.62
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H29N3

Molecular Weight

239.24

AlogP

2.66

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

41.62

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	93924-03-9
NORMAN SUSDAT
PubChem	44153353
ChemSpider	10144561.0

Resources

Reference

CAS NUMBER

93924-03-9

NORMAN SUSDAT

PubChem

44153353

ChemSpider

10144561.0

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...

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Last update: Monday, 3 November 2025

2-(DIMETHYLHEPTYL)-4,5-DIHYDRO-1H-IMIDAZOLE-1-ETHYLAMINE

Structure

Physicochemical Descriptors

Cross References