EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JN2AZR3IC5
EPA CompTox	DTXSID7064601

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JN2AZR3IC5

EPA CompTox

DTXSID7064601


InChI Key	GDHRQDYGUDOEIZ-UHFFFAOYSA-N
Smiles	N(C)(C)CC(C)C
InChI	InChI=1/C6H15N/c1-6(2)5-7(3)4/h6H,5H2,1-4H3

InChI Key

GDHRQDYGUDOEIZ-UHFFFAOYSA-N

Smiles

N(C)(C)CC(C)C

InChI

InChI=1/C6H15N/c1-6(2)5-7(3)4/h6H,5H2,1-4H3

Property Name	Value
Molecular Formula	C6H15N
Molecular Weight	101.12
AlogP	1.2
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	3.24
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C6H15N

Molecular Weight

101.12

AlogP

1.2

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

3.24

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	7239-24-9
NORMAN SUSDAT
FDA SRS	JN2AZR3IC5
PubChem	81653

Resources

Reference

CAS NUMBER

7239-24-9

NORMAN SUSDAT

FDA SRS

JN2AZR3IC5

PubChem

81653

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-DIMETHYLISOBUTYLAMINE

Structure

Physicochemical Descriptors

Cross References