EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	83004E89V5
EPA CompTox	DTXSID10191615

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

83004E89V5

EPA CompTox

DTXSID10191615


InChI Key	HVHZEKKZMFRULH-UHFFFAOYSA-N
Smiles	Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C
InChI	InChI=1S/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3

InChI Key

HVHZEKKZMFRULH-UHFFFAOYSA-N

Smiles

Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3

Property Name	Value
Molecular Formula	C14H23N1
Molecular Weight	205.18
AlogP	3.99
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H23N1

Molecular Weight

205.18

AlogP

3.99

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	38222-83-2
NORMAN SUSDAT
FDA SRS	83004E89V5
PubChem	98898
ChemSpider	89326.0

Resources

Reference

CAS NUMBER

38222-83-2

NORMAN SUSDAT

FDA SRS

83004E89V5

PubChem

98898

ChemSpider

89326.0

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

2,6-DI-TERT-BUTYL-4-METHYLPYRIDINE

Structure

Physicochemical Descriptors

Cross References