3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine

C147H233F9N19O19S12-7 — CID 160809810

About 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine

3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine (PubChem CID 160809810) has the molecular formula C147H233F9N19O19S12-7 and a molecular weight of 3126.38 g/mol. Its IUPAC name is 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine.

Molecular Properties

• Compound Name: 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine
• PubChem CID: 160809810
• Molecular Formula: C147H233F9N19O19S12-7
• Molecular Weight: 3126.38 g/mol
• Exact Mass: 3123.44
• IUPAC Name: 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine
• SMILES: CC(C)S(=O)(=O)NCCCCCNC1c2ccccc2-c2ccccc21.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-].Cc1c(NCCCCCN)ccc2ccsc12.Cc1cc(NCCCCCN)cc(C(=O)NC(C)C)c1.Cc1cc(NCCCCCNS(=O)(=O)C(C)C)cc2ccsc12.NCCCCCNc1c(F)cccc1F.NCCCCCNc1cc(F)cc(F)c1.NCCCCCNc1ccc(F)cc1F.NCCCCCNc1ccc2ccsc2c1.NCCCCCNc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C21H28N2O2S.C17H26N2O2S2.C16H27N3O.C14H20N2S.C13H18N2S.C12H17F3N2.3C11H16F2N2.7C3H8O2S/c1-16(2)26(24,25)23-15-9-3-8-14-22-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21;1-13(2)23(20,21)19-9-6-4-5-8-18-16-11-14(3)17-15(12-16)7-10-22-17;1-12(2)19-16(20)14-9-13(3)10-15(11-14)18-8-6-4-5-7-17;1-11-13(16-9-4-2-3-8-15)6-5-12-7-10-17-14(11)12;14-7-2-1-3-8-15-12-5-4-11-6-9-16-13(11)10-12;13-12(14,15)10-5-4-6-11(9-10)17-8-3-1-2-7-16;12-9-5-4-6-10(13)11(9)15-8-3-1-2-7-14;12-9-4-5-11(10(13)8-9)15-7-3-1-2-6-14;12-9-6-10(13)8-11(7-9)15-5-3-1-2-4-14;7*1-3(2)6(4)5/h4-7,10-13,16,21-23H,3,8-9,14-15H2,1-2H3;7,10-13,18-19H,4-6,8-9H2,1-3H3;9-12,18H,4-8,17H2,1-3H3,(H,19,20);5-7,10,16H,2-4,8-9,15H2,1H3;4-6,9-10,15H,1-3,7-8,14H2;4-6,9,17H,1-3,7-8,16H2;4-6,15H,1-3,7-8,14H2;4-5,8,15H,1-3,6-7,14H2;6-8,15H,1-5,14H2;7*3H,1-2H3,(H,4,5)/p-7
• InChIKey: WKGCFRVKSCPKMB-UHFFFAOYSA-G
• XLogP: 30.51
• TPSA: 692.76 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 38
• Rotatable Bonds: 69
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3126.38
LogP ≤ 5	30.51
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine?

The IUPAC name of 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine (CID 160809810) is 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine.

What is the SMILES notation for 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine?

The canonical SMILES for 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine is CC(C)S(=O)(=O)NCCCCCNC1c2ccccc2-c2ccccc21.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-].Cc1c(NCCCCCN)ccc2ccsc12.Cc1cc(NCCCCCN)cc(C(=O)NC(C)C)c1.Cc1cc(NCCCCCNS(=O)(=O)C(C)C)cc2ccsc12.NCCCCCNc1c(F)cccc1F.NCCCCCNc1cc(F)cc(F)c1.NCCCCCNc1ccc(F)cc1F.NCCCCCNc1ccc2ccsc2c1.NCCCCCNc1cccc(C(F)(F)F)c1.

What is the InChIKey of 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine?

The InChIKey is WKGCFRVKSCPKMB-UHFFFAOYSA-G. The full InChI is InChI=1S/C21H28N2O2S.C17H26N2O2S2.C16H27N3O.C14H20N2S.C13H18N2S.C12H17F3N2.3C11H16F2N2.7C3H8O2S/c1-16(2)26(24,25)23-15-9-3-8-14-22-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21;1-13(2)23(20,21)19-9-6-4-5-8-18-16-11-14(3)17-15(12-16)7-10-22-17;1-12(2)19-16(20)14-9-13(3)10-15(11-14)18-8-6-4-5-7-17;1-11-13(16-9-4-2-3-8-15)6-5-12-7-10-17-14(11)12;14-7-2-1-3-8-15-12-5-4-11-6-9-16-13(11)10-12;13-12(14,15)10-5-4-6-11(9-10)17-8-3-1-2-7-16;12-9-5-4-6-10(13)11(9)15-8-3-1-2-7-14;12-9-4-5-11(10(13)8-9)15-7-3-1-2-6-14;12-9-6-10(13)8-11(7-9)15-5-3-1-2-4-14;7*1-3(2)6(4)5/h4-7,10-13,16,21-23H,3,8-9,14-15H2,1-2H3;7,10-13,18-19H,4-6,8-9H2,1-3H3;9-12,18H,4-8,17H2,1-3H3,(H,19,20);5-7,10,16H,2-4,8-9,15H2,1H3;4-6,9-10,15H,1-3,7-8,14H2;4-6,9,17H,1-3,7-8,16H2;4-6,15H,1-3,7-8,14H2;4-5,8,15H,1-3,6-7,14H2;6-8,15H,1-5,14H2;7*3H,1-2H3,(H,4,5)/p-7.

What are the key properties of 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine?

3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine has a molecular weight of 3126.38 g/mol, XLogP of 30.51, 69 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-aminopentylamino)-5-methyl-N-propan-2-ylbenzamide;N'-(1-benzothiophen-6-yl)pentane-1,5-diamine;N'-(2,4-difluorophenyl)pentane-1,5-diamine;N'-(2,6-difluorophenyl)pentane-1,5-diamine;N'-(3,5-difluorophenyl)pentane-1,5-diamine;N-[5-(9H-fluoren-9-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(7-methyl-1-benzothiophen-5-yl)amino]pentyl]propane-2-sulfonamide;N'-(7-methyl-1-benzothiophen-6-yl)pentane-1,5-diamine;heptakis(propane-2-sulfinate);N'-[3-(trifluoromethyl)phenyl]pentane-1,5-diamine is sourced from PubChem (CID 160809810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).