EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NG5GEH4L19
EPA CompTox	DTXSID50184783

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NG5GEH4L19

EPA CompTox

DTXSID50184783


InChI Key	MVVQNBYRSDXHRF-UHFFFAOYSA-N
Smiles	CC(C)CN(CCO)CCO
InChI	InChI=1S/C8H19NO2/c1-8(2)7-9(3-5-10)4-6-11/h8,10-11H,3-7H2,1-2H3

InChI Key

MVVQNBYRSDXHRF-UHFFFAOYSA-N

Smiles

CC(C)CN(CCO)CCO

InChI

InChI=1S/C8H19NO2/c1-8(2)7-9(3-5-10)4-6-11/h8,10-11H,3-7H2,1-2H3

Property Name	Value
Molecular Formula	C8H19N1O2
Molecular Weight	161.14
AlogP	-0.07
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	43.7
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H19N1O2

Molecular Weight

161.14

AlogP

-0.07

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

43.7

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	30769-76-7
NORMAN SUSDAT
FDA SRS	NG5GEH4L19
PubChem	96696
ChemSpider	87302.0

Resources

Reference

CAS NUMBER

30769-76-7

NORMAN SUSDAT

FDA SRS

NG5GEH4L19

PubChem

96696

ChemSpider

87302.0

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

2,2'-((2-METHYLPROPYL)IMINO)BISETHANOL

Structure

Physicochemical Descriptors

Cross References