N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide

C170H288F17N19O21S9-6 — CID 159085847

About N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide

N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide (PubChem CID 159085847) has the molecular formula C170H288F17N19O21S9-6 and a molecular weight of 3545.85 g/mol. Its IUPAC name is N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide
• PubChem CID: 159085847
• Molecular Formula: C170H288F17N19O21S9-6
• Molecular Weight: 3545.85 g/mol
• Exact Mass: 3542.93
• IUPAC Name: N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(CNc1ccc(C(F)(F)F)cc1)C(C)C(C)CNS(=O)(=O)C(C)(C)C.CC1CC(C)CC(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2)C1.CC1CCCC(c2ccc(NCCCCCN)cc2)C1C.CCc1cc(NCCCCCN)ccc1C(F)(F)F.CCc1cc(NCCCCCN)ccc1OC1CCCC1.COc1cc(NCCCCCN)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(NCCCCCNS(=O)(=O)C(C)(C)C)c1C.NCCCCCNc1ccc(F)c(OC(F)(F)F)c1.NCCCCCNc1ccc(F)cc1
• InChI: InChI=1S/C23H40N2O2S.C19H31F3N2O2S.C19H32N2.C18H30N2O.C17H28F3N3O2S.C14H21F3N2.C13H19F3N2O.C12H16F4N2O.C11H17FN2.6C4H10O2S/c1-18-15-19(2)17-21(16-18)20-9-11-22(12-10-20)24-13-7-6-8-14-25-28(26,27)23(3,4)5;1-13(11-23-17-9-7-16(8-10-17)19(20,21)22)15(3)14(2)12-24-27(25,26)18(4,5)6;1-15-7-6-8-19(16(15)2)17-9-11-18(12-10-17)21-14-5-3-4-13-20;1-2-15-14-16(20-13-7-3-6-12-19)10-11-18(15)21-17-8-4-5-9-17;1-12-13(2)15(22-11-14(12)17(18,19)20)21-9-7-6-8-10-23-26(24,25)16(3,4)5;1-2-11-10-12(19-9-5-3-4-8-18)6-7-13(11)14(15,16)17;1-19-12-9-10(18-8-4-2-3-7-17)5-6-11(12)13(14,15)16;13-10-5-4-9(18-7-3-1-2-6-17)8-11(10)19-12(14,15)16;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;6*1-4(2,3)7(5)6/h9-12,18-19,21,24-25H,6-8,13-17H2,1-5H3;7-10,13-15,23-24H,11-12H2,1-6H3;9-12,15-16,19,21H,3-8,13-14,20H2,1-2H3;10-11,14,17,20H,2-9,12-13,19H2,1H3;11,23H,6-10H2,1-5H3,(H,21,22);6-7,10,19H,2-5,8-9,18H2,1H3;5-6,9,18H,2-4,7-8,17H2,1H3;4-5,8,18H,1-3,6-7,17H2;4-7,14H,1-3,8-9,13H2;6*1-3H3,(H,5,6)/p-6
• InChIKey: SQYNMSNBSYNBFP-UHFFFAOYSA-H
• XLogP: 39.85
• TPSA: 684.26 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 37
• Rotatable Bonds: 68
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3545.85
LogP ≤ 5	39.85
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide?

The IUPAC name of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide (CID 159085847) is N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide.

What is the SMILES notation for N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide?

The canonical SMILES for N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(CNc1ccc(C(F)(F)F)cc1)C(C)C(C)CNS(=O)(=O)C(C)(C)C.CC1CC(C)CC(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2)C1.CC1CCCC(c2ccc(NCCCCCN)cc2)C1C.CCc1cc(NCCCCCN)ccc1C(F)(F)F.CCc1cc(NCCCCCN)ccc1OC1CCCC1.COc1cc(NCCCCCN)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(NCCCCCNS(=O)(=O)C(C)(C)C)c1C.NCCCCCNc1ccc(F)c(OC(F)(F)F)c1.NCCCCCNc1ccc(F)cc1.

What is the InChIKey of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide?

The InChIKey is SQYNMSNBSYNBFP-UHFFFAOYSA-H. The full InChI is InChI=1S/C23H40N2O2S.C19H31F3N2O2S.C19H32N2.C18H30N2O.C17H28F3N3O2S.C14H21F3N2.C13H19F3N2O.C12H16F4N2O.C11H17FN2.6C4H10O2S/c1-18-15-19(2)17-21(16-18)20-9-11-22(12-10-20)24-13-7-6-8-14-25-28(26,27)23(3,4)5;1-13(11-23-17-9-7-16(8-10-17)19(20,21)22)15(3)14(2)12-24-27(25,26)18(4,5)6;1-15-7-6-8-19(16(15)2)17-9-11-18(12-10-17)21-14-5-3-4-13-20;1-2-15-14-16(20-13-7-3-6-12-19)10-11-18(15)21-17-8-4-5-9-17;1-12-13(2)15(22-11-14(12)17(18,19)20)21-9-7-6-8-10-23-26(24,25)16(3,4)5;1-2-11-10-12(19-9-5-3-4-8-18)6-7-13(11)14(15,16)17;1-19-12-9-10(18-8-4-2-3-7-17)5-6-11(12)13(14,15)16;13-10-5-4-9(18-7-3-1-2-6-17)8-11(10)19-12(14,15)16;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;6*1-4(2,3)7(5)6/h9-12,18-19,21,24-25H,6-8,13-17H2,1-5H3;7-10,13-15,23-24H,11-12H2,1-6H3;9-12,15-16,19,21H,3-8,13-14,20H2,1-2H3;10-11,14,17,20H,2-9,12-13,19H2,1H3;11,23H,6-10H2,1-5H3,(H,21,22);6-7,10,19H,2-5,8-9,18H2,1H3;5-6,9,18H,2-4,7-8,17H2,1H3;4-5,8,18H,1-3,6-7,17H2;4-7,14H,1-3,8-9,13H2;6*1-3H3,(H,5,6)/p-6.

What are the key properties of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide?

N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide has a molecular weight of 3545.85 g/mol, XLogP of 39.85, 68 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N-[5-[4-(3,5-dimethylcyclohexyl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-[4-(2,3-dimethylcyclohexyl)phenyl]pentane-1,5-diamine;N-[5-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]-2-methylpropane-2-sulfonamide;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-[4-fluoro-3-(trifluoromethoxy)phenyl]pentane-1,5-diamine;N'-[3-methoxy-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 159085847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).