EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	88NN43I94S
EPA CompTox	DTXSID90223387

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

88NN43I94S

EPA CompTox

DTXSID90223387


InChI Key	OMEMQVZNTDHENJ-UHFFFAOYSA-N
Smiles	N(C)CCCCCCCCCCCC
InChI	InChI=1/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3

InChI Key

OMEMQVZNTDHENJ-UHFFFAOYSA-N

Smiles

N(C)CCCCCCCCCCCC

InChI

InChI=1/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3

Property Name	Value
Molecular Formula	C13H29N
Molecular Weight	199.23
AlogP	4.13
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	11.0
Polar Surface Area	12.03
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H29N

Molecular Weight

199.23

AlogP

4.13

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

11.0

Polar Surface Area

12.03

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	7311-30-0
NORMAN SUSDAT
FDA SRS	88NN43I94S
PubChem	81746

Resources

Reference

CAS NUMBER

7311-30-0

NORMAN SUSDAT

FDA SRS

88NN43I94S

PubChem

81746

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

N-METHYLDODECYLAMINE

Structure

Physicochemical Descriptors

Cross References