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05T

Summary
Name:1-[4-(aminomethyl)cyclohexyl]guanidine
Formula:C8 H18 N4
Formal charge:0
Formula weight:170.255 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[trans-4-(aminomethyl)cyclohexyl]guanidine
OpenEye OEToolkits1.9.21-[4-(aminomethyl)cyclohexyl]guanidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[N@H]=C(N)NC1CCC(CC1)CN
InChIInChI1.03InChI=1S/C8H18N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h6-7H,1-5,9H2,(H4,10,11,12)/t6-,7-
InChIKeyInChI1.03NRPMCWSMDJQOJE-LJGSYFOKSA-N
SMILES_CANONICALCACTVS3.385NC[C@H]1CC[C@@H](CC1)NC(N)=N
SMILESCACTVS3.385NC[CH]1CC[CH](CC1)NC(N)=N
SMILES_CANONICALOpenEye OEToolkits1.9.2[H]/N=C(\N)/NC1CCC(CC1)CN
SMILESOpenEye OEToolkits1.9.2C1CC(CCC1CN)NC(=N)N

225158

PDB entries from 2024-09-18

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