N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide

C135H228F10N15O15S8-5 — CID 159889945

About N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(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'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide (PubChem CID 159889945) has the molecular formula C135H228F10N15O15S8-5 and a molecular weight of 2747.91 g/mol. Its IUPAC name is N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(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'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide
• PubChem CID: 159889945
• Molecular Formula: C135H228F10N15O15S8-5
• Molecular Weight: 2747.91 g/mol
• Exact Mass: 2745.52
• IUPAC Name: N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(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(CNc1ccc(C(F)(F)F)cc1)C(C)C(C)CNS(=O)(=O)C(C)(C)C.CC1CC(C)CC(c2ccc(NCCCCCN)cc2)C1.CCc1cc(NCCCCCN)ccc1C(F)(F)F.CCc1cc(NCCCCCN)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(NCCCCCNS(=O)(=O)C(C)(C)C)c1C.Cc1csc(-c2ccc(NCCCCCN)c(C)c2)c1.NCCCCCNc1ccc(F)cc1
• InChI: InChI=1S/C19H31F3N2O2S.C19H32N2.C18H30N2O.C17H28F3N3O2S.C17H24N2S.C14H21F3N2.C11H17FN2.5C4H10O2S/c1-13(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;1-15-12-16(2)14-18(13-15)17-6-8-19(9-7-17)21-11-5-3-4-10-20;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;1-13-10-17(20-12-13)15-6-7-16(14(2)11-15)19-9-5-3-4-8-18;1-2-11-10-12(19-9-5-3-4-8-18)6-7-13(11)14(15,16)17;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;5*1-4(2,3)7(5)6/h7-10,13-15,23-24H,11-12H2,1-6H3;6-9,15-16,18,21H,3-5,10-14,20H2,1-2H3;10-11,14,17,20H,2-9,12-13,19H2,1H3;11,23H,6-10H2,1-5H3,(H,21,22);6-7,10-12,19H,3-5,8-9,18H2,1-2H3;6-7,10,19H,2-5,8-9,18H2,1H3;4-7,14H,1-3,8-9,13H2;5*1-3H3,(H,5,6)/p-5
• InChIKey: SIAPCZRQBYEJJG-UHFFFAOYSA-I
• XLogP: 31.71
• TPSA: 529.42 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 52
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2747.91
LogP ≤ 5	31.71
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

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'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(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'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide (CID 159889945) is N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(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'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(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'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(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(CNc1ccc(C(F)(F)F)cc1)C(C)C(C)CNS(=O)(=O)C(C)(C)C.CC1CC(C)CC(c2ccc(NCCCCCN)cc2)C1.CCc1cc(NCCCCCN)ccc1C(F)(F)F.CCc1cc(NCCCCCN)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(NCCCCCNS(=O)(=O)C(C)(C)C)c1C.Cc1csc(-c2ccc(NCCCCCN)c(C)c2)c1.NCCCCCNc1ccc(F)cc1.

What is the InChIKey of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide?

The InChIKey is SIAPCZRQBYEJJG-UHFFFAOYSA-I. The full InChI is InChI=1S/C19H31F3N2O2S.C19H32N2.C18H30N2O.C17H28F3N3O2S.C17H24N2S.C14H21F3N2.C11H17FN2.5C4H10O2S/c1-13(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;1-15-12-16(2)14-18(13-15)17-6-8-19(9-7-17)21-11-5-3-4-10-20;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;1-13-10-17(20-12-13)15-6-7-16(14(2)11-15)19-9-5-3-4-8-18;1-2-11-10-12(19-9-5-3-4-8-18)6-7-13(11)14(15,16)17;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;5*1-4(2,3)7(5)6/h7-10,13-15,23-24H,11-12H2,1-6H3;6-9,15-16,18,21H,3-5,10-14,20H2,1-2H3;10-11,14,17,20H,2-9,12-13,19H2,1H3;11,23H,6-10H2,1-5H3,(H,21,22);6-7,10-12,19H,3-5,8-9,18H2,1-2H3;6-7,10,19H,2-5,8-9,18H2,1H3;4-7,14H,1-3,8-9,13H2;5*1-3H3,(H,5,6)/p-5.

What are the key properties of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(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'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide has a molecular weight of 2747.91 g/mol, XLogP of 31.71, 52 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(3,5-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'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);2-methyl-N-[2,3,4-trimethyl-5-[4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 159889945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).