General Information of the Compound
Compound ID
CP0148106
Compound Name
N,N',N'-trimethylethane-1,2-diamine
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Structure
Formula
C5H14N2
Molecular Weight
102.181
Canonical SMILES
CNCCN(C)C
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InChI
InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
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InChIKey
HVOYZOQVDYHUPF-UHFFFAOYSA-N
Physicochemical Property
logP
-0.2326
Rotatable Bonds
3
Heavy Atom Count
7
Polar Areas
15.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
7

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 67338
SID: 14747435
ChEMBL ID
CHEMBL3780444
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02223, Protein arginine N-methyltransferase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 5000 nM
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