EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID2067743

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID2067743


InChI Key	BGYROZINELAMHD-UHFFFAOYSA-N
Smiles	CC/C(=N/NC(C)(C)C)/C
InChI	InChI=1S/C8H18N2/c1-6-7(2)9-10-8(3,4)5/h10H,6H2,1-5H3/b9-7+

InChI Key

BGYROZINELAMHD-UHFFFAOYSA-N

Smiles

CC/C(=N/NC(C)(C)C)/C

InChI

InChI=1S/C8H18N2/c1-6-7(2)9-10-8(3,4)5/h10H,6H2,1-5H3/b9-7+

Property Name	Value
Molecular Formula	C8H18N2
Molecular Weight	142.15
AlogP	2.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	24.39
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H18N2

Molecular Weight

142.15

AlogP

2.16

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

24.39

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	33037-40-0
NORMAN SUSDAT
PubChem	118389
ChemSpider	7851160.0

Resources

Reference

CAS NUMBER

33037-40-0

NORMAN SUSDAT

PubChem

118389

ChemSpider

7851160.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-BUTANONE, (1,1-DIMETHYLETHYL)HYDRAZONE

Structure

Physicochemical Descriptors

Cross References