Details of the Drug

General Information of Drug (ID: DMTPL4W)

Drug Name
Methylamine
Synonyms
Aminomethane; Anhydrous Methylamine; BAVYZALUXZFZLV-UHFFFAOYSA-N; Carbinamine; METHYLAMINE; Mercurialin; Methanamine; Methylamine aq; Methylamine solutions; Methylamine, anhydrous; Methylamine, in aqueous solution; Methylaminen; Methylaminen [Dutch]; Metilamine; Metilamine [Italian]; Metyloamina; Metyloamina [Polish]; Monomethylamine; N-Methylamine; UN1061; UN1235; methyl-amine; monomethyl amine; 74-89-5; AI3-15637-X; BSF23SJ79E; CCRIS 2508; CH3NH2; CHEBI:16830; EINECS 200-820-0; HSDB 810; MeNH2; UNII-BSF23SJ79E
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 31.057
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
CH5N
IUPAC Name
methanamine
Canonical SMILES
CN
InChI
InChI=1S/CH5N/c1-2/h2H2,1H3
InChIKey
BAVYZALUXZFZLV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6329
ChEBI ID
CHEMBL16830
CAS Number
74-89-5
UNII
BSF23SJ79E
DrugBank ID
DB01828
INTEDE ID
DR2042
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Copper amine oxidase (AOC3) DE6SOC5 AOC3_HUMAN Substrate [1]
Semicarbazide-sensitive amine oxidase (AOC2) DE8DP90 AOC2_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The unique substrate specificity of human AOC2, a semicarbazide-sensitive amine oxidase. Cell Mol Life Sci. 2009 Aug;66(16):2743-57.