1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride

C108H164Cl2N18O11S5-2 — CID 159484659

About 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride

1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride (PubChem CID 159484659) has the molecular formula C108H164Cl2N18O11S5-2 and a molecular weight of 2121.86 g/mol. Its IUPAC name is 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride.

Molecular Properties

• Compound Name: 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride
• PubChem CID: 159484659
• Molecular Formula: C108H164Cl2N18O11S5-2
• Molecular Weight: 2121.86 g/mol
• Exact Mass: 2119.08
• IUPAC Name: 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride
• SMILES: CC(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cl.Cl.NC(=O)[C@@H]1CCCN1c1ccc(NCC2CCC(N)CC2)cc1.NC1CCC(CNc2ccc(N3CCC(N)C3)cc2)CC1
• InChI: InChI=1S/C24H33N3O2S.C24H31N3O2S.C19H28N4O2S.C18H28N4O.C17H28N4.2C3H8O2S.2ClH/c2*1-18(2)30(28,29)26-22-9-7-19(8-10-22)17-25-21-11-13-23(14-12-21)27-16-15-20-5-3-4-6-24(20)27;1-15(2)26(24,25)22-18-6-4-16(5-7-18)14-20-17-8-10-19(11-9-17)23-13-3-12-21-23;19-14-5-3-13(4-6-14)12-21-15-7-9-16(10-8-15)22-11-1-2-17(22)18(20)23;18-14-3-1-13(2-4-14)11-20-16-5-7-17(8-6-16)21-10-9-15(19)12-21;2*1-3(2)6(4)5;;/h3-6,11-14,18-19,22,25-26H,7-10,15-17H2,1-2H3;3-6,11-16,18-19,22,25-26H,7-10,17H2,1-2H3;3,8-13,15-16,18,20,22H,4-7,14H2,1-2H3;7-10,13-14,17,21H,1-6,11-12,19H2,(H2,20,23);5-8,13-15,20H,1-4,9-12,18-19H2;2*3H,1-2H3,(H,4,5);2*1H/p-2/t;;;13?,14?,17-;;;;;/m...0...../s1
• InChIKey: FOQKJJGVBKXQIA-FGIQBVLZSA-L
• XLogP: 18.39
• TPSA: 432.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2121.86
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride?

The IUPAC name of 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride (CID 159484659) is 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride.

What is the SMILES notation for 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride?

The canonical SMILES for 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride is CC(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cl.Cl.NC(=O)[C@@H]1CCCN1c1ccc(NCC2CCC(N)CC2)cc1.NC1CCC(CNc2ccc(N3CCC(N)C3)cc2)CC1.

What is the InChIKey of 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride?

The InChIKey is FOQKJJGVBKXQIA-FGIQBVLZSA-L. The full InChI is InChI=1S/C24H33N3O2S.C24H31N3O2S.C19H28N4O2S.C18H28N4O.C17H28N4.2C3H8O2S.2ClH/c2*1-18(2)30(28,29)26-22-9-7-19(8-10-22)17-25-21-11-13-23(14-12-21)27-16-15-20-5-3-4-6-24(20)27;1-15(2)26(24,25)22-18-6-4-16(5-7-18)14-20-17-8-10-19(11-9-17)23-13-3-12-21-23;19-14-5-3-13(4-6-14)12-21-15-7-9-16(10-8-15)22-11-1-2-17(22)18(20)23;18-14-3-1-13(2-4-14)11-20-16-5-7-17(8-6-16)21-10-9-15(19)12-21;2*1-3(2)6(4)5;;/h3-6,11-14,18-19,22,25-26H,7-10,15-17H2,1-2H3;3-6,11-16,18-19,22,25-26H,7-10,17H2,1-2H3;3,8-13,15-16,18,20,22H,4-7,14H2,1-2H3;7-10,13-14,17,21H,1-6,11-12,19H2,(H2,20,23);5-8,13-15,20H,1-4,9-12,18-19H2;2*3H,1-2H3,(H,4,5);2*1H/p-2/t;;;13?,14?,17-;;;;;/m...0...../s1.

What are the key properties of 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride?

1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride has a molecular weight of 2121.86 g/mol, XLogP of 18.39, 32 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride is sourced from PubChem (CID 159484659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).