General Information of the Compound
Compound ID
CP0527131
Compound Name
N,N-dimethyl-2-pyridin-3-ylethanamine
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Structure
Formula
C9H14N2
Molecular Weight
150.225
Canonical SMILES
CN(C)CCc1cccnc1
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InChI
InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2,1-2H3
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InChIKey
DZOSVKUXMNMXTK-UHFFFAOYSA-N
Physicochemical Property
logP
1.1857
Rotatable Bonds
3
Heavy Atom Count
11
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
11

"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: 4401657
SID: 15388546
ChEMBL ID
CHEMBL142049
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
Ki = 3162.28 nM
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