4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde

C163H242F12N24O23S — CID 159572121

IUPAC4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde
SMILESC.C.C.C.C.C.C.C.C.CC1(C(=O)O)CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.CC1(N)CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1.CC1(NC(=O)OC(C)(C)C)CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.CC1(NC(=O)OC(C)(C)C)CCC(CN)CC1.CC1(NC(=O)OC(C)(C)C)CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1.CO.N#CSc1nc(NCc2ccccc2OC(F)(F)F)ncc1[N+](=O)[O-].NCC1CCC(C(=O)O)CC1.O=C(O)C1CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.O=CC(F)(F)F
InChIInChI=1S/C27H38N2O2.C25H33F3N6O5.C23H29NO2.C22H27NO2.C20H25F3N6O3.C13H8F3N5O3S.C13H26N2O2.C8H15NO2.C2HF3O.CH4O.9CH4/c1-26(2,3)31-25(30)28-27(4)17-15-24(16-18-27)21-29(19-22-11-7-5-8-12-22)20-23-13-9-6-10-14-23;1-23(2,3)39-22(35)33-24(4)11-9-16(10-12-24)13-29-20-18(34(36)37)15-31-21(32-20)30-14-17-7-5-6-8-19(17)38-25(26,27)28;1-23(22(25)26)14-12-21(13-15-23)18-24(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20;24-22(25)21-13-11-20(12-14-21)17-23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19;1-19(24)8-6-13(7-9-19)10-25-17-15(29(30)31)12-27-18(28-17)26-11-14-4-2-3-5-16(14)32-20(21,22)23;14-13(15,16)24-10-4-2-1-3-8(10)5-18-12-19-6-9(21(22)23)11(20-12)25-7-17;1-12(2,3)17-11(16)15-13(4)7-5-10(9-14)6-8-13;9-5-6-1-3-7(4-2-6)8(10)11;3-2(4,5)1-6;1-2;;;;;;;;;/h5-14,24H,15-21H2,1-4H3,(H,28,30);5-8,15-16H,9-14H2,1-4H3,(H,33,35)(H2,29,30,31,32);2-11,21H,12-18H2,1H3,(H,25,26);1-10,20-21H,11-17H2,(H,24,25);2-5,12-13H,6-11,24H2,1H3,(H2,25,26,27,28);1-4,6H,5H2,(H,18,19,20);10H,5-9,14H2,1-4H3,(H,15,16);6-7H,1-5,9H2,(H,10,11);1H;2H,1H3;9*1H4
InChIKeyMHYJAEHVNOPPSV-UHFFFAOYSA-N
MW3165.92 g/mol
LogP38.51
Rot. Bonds48

About 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde

4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde (PubChem CID 159572121) has the molecular formula C163H242F12N24O23S and a molecular weight of 3165.92 g/mol. Its IUPAC name is 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde
PubChem CID159572121
Molecular FormulaC163H242F12N24O23S
Molecular Weight3165.92 g/mol
Exact Mass3163.80
IUPAC Name4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde
SMILESC.C.C.C.C.C.C.C.C.CC1(C(=O)O)CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.CC1(N)CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1.CC1(NC(=O)OC(C)(C)C)CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.CC1(NC(=O)OC(C)(C)C)CCC(CN)CC1.CC1(NC(=O)OC(C)(C)C)CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1.CO.N#CSc1nc(NCc2ccccc2OC(F)(F)F)ncc1[N+](=O)[O-].NCC1CCC(C(=O)O)CC1.O=C(O)C1CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.O=CC(F)(F)F
InChIInChI=1S/C27H38N2O2.C25H33F3N6O5.C23H29NO2.C22H27NO2.C20H25F3N6O3.C13H8F3N5O3S.C13H26N2O2.C8H15NO2.C2HF3O.CH4O.9CH4/c1-26(2,3)31-25(30)28-27(4)17-15-24(16-18-27)21-29(19-22-11-7-5-8-12-22)20-23-13-9-6-10-14-23;1-23(2,3)39-22(35)33-24(4)11-9-16(10-12-24)13-29-20-18(34(36)37)15-31-21(32-20)30-14-17-7-5-6-8-19(17)38-25(26,27)28;1-23(22(25)26)14-12-21(13-15-23)18-24(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20;24-22(25)21-13-11-20(12-14-21)17-23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19;1-19(24)8-6-13(7-9-19)10-25-17-15(29(30)31)12-27-18(28-17)26-11-14-4-2-3-5-16(14)32-20(21,22)23;14-13(15,16)24-10-4-2-1-3-8(10)5-18-12-19-6-9(21(22)23)11(20-12)25-7-17;1-12(2,3)17-11(16)15-13(4)7-5-10(9-14)6-8-13;9-5-6-1-3-7(4-2-6)8(10)11;3-2(4,5)1-6;1-2;;;;;;;;;/h5-14,24H,15-21H2,1-4H3,(H,28,30);5-8,15-16H,9-14H2,1-4H3,(H,33,35)(H2,29,30,31,32);2-11,21H,12-18H2,1H3,(H,25,26);1-10,20-21H,11-17H2,(H,24,25);2-5,12-13H,6-11,24H2,1H3,(H2,25,26,27,28);1-4,6H,5H2,(H,18,19,20);10H,5-9,14H2,1-4H3,(H,15,16);6-7H,1-5,9H2,(H,10,11);1H;2H,1H3;9*1H4
InChIKeyMHYJAEHVNOPPSV-UHFFFAOYSA-N
XLogP38.51
TPSA670.36 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds48
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003165.92
LogP ≤ 538.51
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde (CID 159572121) is 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde is C.C.C.C.C.C.C.C.C.CC1(C(=O)O)CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.CC1(N)CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1.CC1(NC(=O)OC(C)(C)C)CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.CC1(NC(=O)OC(C)(C)C)CCC(CN)CC1.CC1(NC(=O)OC(C)(C)C)CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1.CO.N#CSc1nc(NCc2ccccc2OC(F)(F)F)ncc1[N+](=O)[O-].NCC1CCC(C(=O)O)CC1.O=C(O)C1CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.O=CC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde?
The InChIKey is MHYJAEHVNOPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2.C25H33F3N6O5.C23H29NO2.C22H27NO2.C20H25F3N6O3.C13H8F3N5O3S.C13H26N2O2.C8H15NO2.C2HF3O.CH4O.9CH4/c1-26(2,3)31-25(30)28-27(4)17-15-24(16-18-27)21-29(19-22-11-7-5-8-12-22)20-23-13-9-6-10-14-23;1-23(2,3)39-22(35)33-24(4)11-9-16(10-12-24)13-29-20-18(34(36)37)15-31-21(32-20)30-14-17-7-5-6-8-19(17)38-25(26,27)28;1-23(22(25)26)14-12-21(13-15-23)18-24(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20;24-22(25)21-13-11-20(12-14-21)17-23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19;1-19(24)8-6-13(7-9-19)10-25-17-15(29(30)31)12-27-18(28-17)26-11-14-4-2-3-5-16(14)32-20(21,22)23;14-13(15,16)24-10-4-2-1-3-8(10)5-18-12-19-6-9(21(22)23)11(20-12)25-7-17;1-12(2,3)17-11(16)15-13(4)7-5-10(9-14)6-8-13;9-5-6-1-3-7(4-2-6)8(10)11;3-2(4,5)1-6;1-2;;;;;;;;;/h5-14,24H,15-21H2,1-4H3,(H,28,30);5-8,15-16H,9-14H2,1-4H3,(H,33,35)(H2,29,30,31,32);2-11,21H,12-18H2,1H3,(H,25,26);1-10,20-21H,11-17H2,(H,24,25);2-5,12-13H,6-11,24H2,1H3,(H2,25,26,27,28);1-4,6H,5H2,(H,18,19,20);10H,5-9,14H2,1-4H3,(H,15,16);6-7H,1-5,9H2,(H,10,11);1H;2H,1H3;9*1H4.
What are the key properties of 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde?
4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde has a molecular weight of 3165.92 g/mol, XLogP of 38.51, 48 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclohexane-1-carboxylic acid;4-N-[(4-amino-4-methylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;tert-butyl N-[4-(aminomethyl)-1-methylcyclohexyl]carbamate;tert-butyl N-[4-[(dibenzylamino)methyl]-1-methylcyclohexyl]carbamate;tert-butyl N-[1-methyl-4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]carbamate;4-[(dibenzylamino)methyl]cyclohexane-1-carboxylic acid;4-[(dibenzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid;methane;methanol;[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl] thiocyanate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159572121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).