General
Preferred name
PD043017
Synonyms
1,3-Dimethylbutylamine (hydrochloride) ()
4-Methylpentan-2-amine hydrochloride ()
P&D ID
PD043017
CAS
108-09-8
71776-70-0
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
4-Methylpentan-2-amine interacts with trace amine-associated receptor 1, serotonin 5-hydroxytryptamine-1A receptor, and adrenergic α1A and α2A receptors at submicromolar concentrations.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
Cayman Chemical Bioactives
Enamine Bioactive Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
101.12
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
1.38
TPSA
26.02
Fraction CSP3
1.0
Chiral centers
1.0
Largest ring
0.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
