EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	847WT67AJE
EPA CompTox	DTXSID10200751

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

847WT67AJE

EPA CompTox

DTXSID10200751


InChI Key	LSICDRUYCNGRIF-UHFFFAOYSA-N
Smiles	CCCCCCCN(C)C
InChI	InChI=1S/C9H21N/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3

InChI Key

LSICDRUYCNGRIF-UHFFFAOYSA-N

Smiles

CCCCCCCN(C)C

InChI

InChI=1S/C9H21N/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3

Property Name	Value
Molecular Formula	C9H21N1
Molecular Weight	143.17
AlogP	2.52
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	3.24
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C9H21N1

Molecular Weight

143.17

AlogP

2.52

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

3.24

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	5277-11-2
NORMAN SUSDAT
FDA SRS	847WT67AJE
PubChem	16226
ChemSpider	15398.0

Resources

Reference

CAS NUMBER

5277-11-2

NORMAN SUSDAT

FDA SRS

847WT67AJE

PubChem

16226

ChemSpider

15398.0

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, 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,N-DIMETHYLHEPTYLAMINE

Structure

Physicochemical Descriptors

Cross References