EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	67D4VJ5C7W
EPA CompTox	DTXSID6069082

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

67D4VJ5C7W

EPA CompTox

DTXSID6069082


InChI Key	AQVCJKMGVKNXCB-UHFFFAOYSA-N
Smiles	CN(C)Cc1cccn1C
InChI	InChI=1S/C8H14N2/c1-9(2)7-8-5-4-6-10(8)3/h4-6H,7H2,1-3H3

InChI Key

AQVCJKMGVKNXCB-UHFFFAOYSA-N

Smiles

CN(C)Cc1cccn1C

InChI

InChI=1S/C8H14N2/c1-9(2)7-8-5-4-6-10(8)3/h4-6H,7H2,1-3H3

Property Name	Value
Molecular Formula	C8H14N2
Molecular Weight	138.12
AlogP	1.09
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	8.17
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H14N2

Molecular Weight

138.12

AlogP

1.09

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

8.17

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	56139-76-5
NORMAN SUSDAT
FDA SRS	67D4VJ5C7W
PubChem	92023
ChemSpider	83086.0

Resources

Reference

CAS NUMBER

56139-76-5

NORMAN SUSDAT

FDA SRS

67D4VJ5C7W

PubChem

92023

ChemSpider

83086.0

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

1H-PYRROLE-2-METHANAMINE, N,N,1-TRIMETHYL-

Structure

Physicochemical Descriptors

Cross References