EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6069161

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6069161


InChI Key	RNSVADAHBNMOEI-UHFFFAOYSA-N
Smiles	CC(=NCCNCCNCCNCCN=C(C)C)C
InChI	InChI=1S/C14H31N5/c1-13(2)18-11-9-16-7-5-15-6-8-17-10-12-19-14(3)4/h15-17H,5-12H2,1-4H3

InChI Key

RNSVADAHBNMOEI-UHFFFAOYSA-N

Smiles

CC(=NCCNCCNCCNCCN=C(C)C)C

InChI

InChI=1S/C14H31N5/c1-13(2)18-11-9-16-7-5-15-6-8-17-10-12-19-14(3)4/h15-17H,5-12H2,1-4H3

Property Name	Value
Molecular Formula	C14H31N5
Molecular Weight	269.26
AlogP	0.72
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	12.0
Polar Surface Area	60.81
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H31N5

Molecular Weight

269.26

AlogP

0.72

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

12.0

Polar Surface Area

60.81

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	57137-50-5
NORMAN SUSDAT
PubChem	92683
ChemSpider	83666.0

Resources

Reference

CAS NUMBER

57137-50-5

NORMAN SUSDAT

PubChem

92683

ChemSpider

83666.0

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

1,2-ETHANEDIAMINE, N-[2-[(1-METHYLETHYLIDENE)AMINO]ETHYL]-N'-[2-[[2-[(1-METHYLETHYLIDENE)AMINO]ETHYL]AMINO]ETHYL]-

Structure

Physicochemical Descriptors

Cross References