N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)

C136H221F3N15O19S8-7 — CID 159792631

About N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)

N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate) (PubChem CID 159792631) has the molecular formula C136H221F3N15O19S8-7 and a molecular weight of 2683.88 g/mol. Its IUPAC name is N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate).

Molecular Properties

• Compound Name: N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)
• PubChem CID: 159792631
• Molecular Formula: C136H221F3N15O19S8-7
• Molecular Weight: 2683.88 g/mol
• Exact Mass: 2681.45
• IUPAC Name: N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)
• SMILES: CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(Oc2ccc(NCCCCCN)cc2)C1C.CCc1cc(NCCCCCN)ccc1C(F)(F)F.CCc1cc(NCCCCCN)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1NCCCC(C)CN.Cc1cc(-c2ncco2)ccc1NCCCC(C)CN.Cc1csc(-c2ccc(NCCCCCN)c(C)c2)c1.NCCCCCNc1cccc(-c2ccco2)c1
• InChI: InChI=1S/2C18H30N2O.C17H24N2O.C17H24N2S.C16H23N3O.C15H20N2O.C14H21F3N2.7C3H8O2S/c1-14-6-11-18(15(14)2)21-17-9-7-16(8-10-17)20-13-5-3-4-12-19;1-2-15-14-16(20-13-7-3-6-12-19)10-11-18(15)21-17-8-4-5-9-17;1-13(12-18)5-3-9-19-16-8-7-15(11-14(16)2)17-6-4-10-20-17;1-13-10-17(20-12-13)15-6-7-16(14(2)11-15)19-9-5-3-4-8-18;1-12(11-17)4-3-7-18-15-6-5-14(10-13(15)2)16-19-8-9-20-16;16-9-2-1-3-10-17-14-7-4-6-13(12-14)15-8-5-11-18-15;1-2-11-10-12(19-9-5-3-4-8-18)6-7-13(11)14(15,16)17;7*1-3(2)6(4)5/h7-10,14-15,18,20H,3-6,11-13,19H2,1-2H3;10-11,14,17,20H,2-9,12-13,19H2,1H3;4,6-8,10-11,13,19H,3,5,9,12,18H2,1-2H3;6-7,10-12,19H,3-5,8-9,18H2,1-2H3;5-6,8-10,12,18H,3-4,7,11,17H2,1-2H3;4-8,11-12,17H,1-3,9-10,16H2;6-7,10,19H,2-5,8-9,18H2,1H3;7*3H,1-2H3,(H,4,5)/p-7
• InChIKey: FFGLMNNBWNTURP-UHFFFAOYSA-G
• XLogP: 29.42
• TPSA: 618.03 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 59
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2683.88
LogP ≤ 5	29.42
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

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-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)?

The IUPAC name of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate) (CID 159792631) is N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate).

What is the SMILES notation for N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)?

The canonical SMILES for N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate) is CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(Oc2ccc(NCCCCCN)cc2)C1C.CCc1cc(NCCCCCN)ccc1C(F)(F)F.CCc1cc(NCCCCCN)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1NCCCC(C)CN.Cc1cc(-c2ncco2)ccc1NCCCC(C)CN.Cc1csc(-c2ccc(NCCCCCN)c(C)c2)c1.NCCCCCNc1cccc(-c2ccco2)c1.

What is the InChIKey of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)?

The InChIKey is FFGLMNNBWNTURP-UHFFFAOYSA-G. The full InChI is InChI=1S/2C18H30N2O.C17H24N2O.C17H24N2S.C16H23N3O.C15H20N2O.C14H21F3N2.7C3H8O2S/c1-14-6-11-18(15(14)2)21-17-9-7-16(8-10-17)20-13-5-3-4-12-19;1-2-15-14-16(20-13-7-3-6-12-19)10-11-18(15)21-17-8-4-5-9-17;1-13(12-18)5-3-9-19-16-8-7-15(11-14(16)2)17-6-4-10-20-17;1-13-10-17(20-12-13)15-6-7-16(14(2)11-15)19-9-5-3-4-8-18;1-12(11-17)4-3-7-18-15-6-5-14(10-13(15)2)16-19-8-9-20-16;16-9-2-1-3-10-17-14-7-4-6-13(12-14)15-8-5-11-18-15;1-2-11-10-12(19-9-5-3-4-8-18)6-7-13(11)14(15,16)17;7*1-3(2)6(4)5/h7-10,14-15,18,20H,3-6,11-13,19H2,1-2H3;10-11,14,17,20H,2-9,12-13,19H2,1H3;4,6-8,10-11,13,19H,3,5,9,12,18H2,1-2H3;6-7,10-12,19H,3-5,8-9,18H2,1-2H3;5-6,8-10,12,18H,3-4,7,11,17H2,1-2H3;4-8,11-12,17H,1-3,9-10,16H2;6-7,10,19H,2-5,8-9,18H2,1H3;7*3H,1-2H3,(H,4,5)/p-7.

What are the key properties of N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)?

N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate) has a molecular weight of 2683.88 g/mol, XLogP of 29.42, 59 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate) is sourced from PubChem (CID 159792631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).