EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	G2J7WXC5AS
EPA CompTox	DTXSID10233645

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

G2J7WXC5AS

EPA CompTox

DTXSID10233645


InChI Key	SATBRZBUHWPNPR-UHFFFAOYSA-N
Smiles	CN(C)CC(C)(C)CNCCO
InChI	InChI=1S/C9H22N2O/c1-9(2,8-11(3)4)7-10-5-6-12/h10,12H,5-8H2,1-4H3

InChI Key

SATBRZBUHWPNPR-UHFFFAOYSA-N

Smiles

CN(C)CC(C)(C)CNCCO

InChI

InChI=1S/C9H22N2O/c1-9(2,8-11(3)4)7-10-5-6-12/h10,12H,5-8H2,1-4H3

Property Name	Value
Molecular Formula	C9H22N2O1
Molecular Weight	174.17
AlogP	0.16
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	35.5
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H22N2O1

Molecular Weight

174.17

AlogP

0.16

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

35.5

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	84642-65-9
NORMAN SUSDAT
FDA SRS	G2J7WXC5AS
PubChem	3020016
ChemSpider	2287034.0

Resources

Reference

CAS NUMBER

84642-65-9

NORMAN SUSDAT

FDA SRS

G2J7WXC5AS

PubChem

3020016

ChemSpider

2287034.0

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-((3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPYL)AMINO)ETHANOL

Structure

Physicochemical Descriptors

Cross References