EcoDrugPlus


Synonyms	Diethyl-Amine Diethylamine
Status
Molecule Category	UNKNOWN
UNII	B035PIS86W
EPA CompTox	DTXSID6021909

Synonyms

Diethyl-Amine

Diethylamine

Status

Molecule Category

UNKNOWN

UNII

B035PIS86W

EPA CompTox

DTXSID6021909


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


InChI Key	HPNMFZURTQLUMO-UHFFFAOYSA-N
Smiles	CCNCC
InChI	InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3

InChI Key

HPNMFZURTQLUMO-UHFFFAOYSA-N

Smiles

CCNCC

InChI

InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3

Property Name	Value
Molecular Formula	C4H11N
Molecular Weight	73.14
AlogP	0.62
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	12.03
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C4H11N

Molecular Weight

73.14

AlogP

0.62

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

12.03

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

5.0

Resources	Reference
ChEBI	85259
ChEMBL	CHEMBL1189
FDA SRS	B035PIS86W
Human Metabolome Database	HMDB0041878
PubChem	8021
SureChEMBL	SCHEMBL2698
ZINC	ZINC000001661184

Resources

Reference

ChEBI

85259

ChEMBL

CHEMBL1189

FDA SRS

B035PIS86W

Human Metabolome Database

PubChem

SureChEMBL

ZINC


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).

DIETHYLAMINE

Structure

Physicochemical Descriptors

Cross References