EcoDrugPlus


Synonyms	DMAE Dimethylaminoethanol N,N-Dimethylaminoethanol
Status
Molecule Category	UNKNOWN
UNII	2N6K9DRA24
EPA CompTox	DTXSID2020505

Synonyms

DMAE

Dimethylaminoethanol

N,N-Dimethylaminoethanol

Status

Molecule Category

UNKNOWN

UNII

2N6K9DRA24

EPA CompTox

DTXSID2020505


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	UEEJHVSXFDXPFK-UHFFFAOYSA-N
Smiles	CN(C)CCO
InChI	InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3

InChI Key

UEEJHVSXFDXPFK-UHFFFAOYSA-N

Smiles

CN(C)CCO

InChI

InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3

Property Name	Value
Molecular Formula	C4H11NO
Molecular Weight	89.14
AlogP	-0.46
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	23.47
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C4H11NO

Molecular Weight

89.14

AlogP

-0.46

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

23.47

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

6.0

Resources	Reference
ChEBI	271436
ChEMBL	CHEMBL1135
DrugBank	DB13352
DrugCentral	787
FDA SRS	2N6K9DRA24
Human Metabolome Database	HMDB0032231
SureChEMBL	SCHEMBL16756236
ZINC	ZINC000001641058

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0032231

SureChEMBL

SCHEMBL16756236

ZINC

ZINC000001641058


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

DIMETHYLAMINOETHANOL

Structure

Physicochemical Descriptors

Cross References