Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

RP8

Summary
Name:5-(aminomethyl)quinolin-2-amine
Formula:C10 H11 N3
Formal charge:0
Formula weight:173.214 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(aminomethyl)quinolin-2-amine
OpenEye OEToolkits1.7.65-(aminomethyl)quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(ccc2c(cccc12)CN)N
InChIInChI1.03InChI=1S/C10H11N3/c11-6-7-2-1-3-9-8(7)4-5-10(12)13-9/h1-5H,6,11H2,(H2,12,13)
InChIKeyInChI1.03FRAGPLZAQYPMFF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCc1cccc2nc(N)ccc12
SMILESCACTVS3.385NCc1cccc2nc(N)ccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c2ccc(nc2c1)N)CN
SMILESOpenEye OEToolkits1.7.6c1cc(c2ccc(nc2c1)N)CN

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon