EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID4064056

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID4064056


InChI Key	PZFYOFFTIYJCEW-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCNCCCCCCCCCCCCC
InChI	InChI=1S/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3

InChI Key

PZFYOFFTIYJCEW-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCNCCCCCCCCCCCCC

InChI

InChI=1S/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3

Property Name	Value
Molecular Formula	C26H55N1
Molecular Weight	381.43
AlogP	9.2
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	24.0
Polar Surface Area	12.03
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C26H55N1

Molecular Weight

381.43

AlogP

9.2

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

24.0

Polar Surface Area

12.03

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	101012-97-9
NORMAN SUSDAT
PubChem	22200
ChemSpider	20842.0

Resources

Reference

CAS NUMBER

101012-97-9

NORMAN SUSDAT

PubChem

22200

ChemSpider

20842.0

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-TRIDECANAMINE, N-TRIDECYL-

Structure

Physicochemical Descriptors

Cross References