3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)

C152H263N20O21S9-5 — CID 159027110

About 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)

3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) (PubChem CID 159027110) has the molecular formula C152H263N20O21S9-5 and a molecular weight of 2995.50 g/mol. Its IUPAC name is 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate).

Molecular Properties

• Compound Name: 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)
• PubChem CID: 159027110
• Molecular Formula: C152H263N20O21S9-5
• Molecular Weight: 2995.50 g/mol
• Exact Mass: 2992.76
• IUPAC Name: 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(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-].Cc1c(NCCCCCN)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C.Cc1c(NCCCCCN)ccc2c1CC(C)C2.Cc1c(NCCCCCN)cccc1C(=O)NC(C)C.Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc2c1CCC2.Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc2c1OCCO2.Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc2ncsc12.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1NCCCCCN.Cc1cc(NCCCCCN)c(C)c2c1CCC2
• InChI: InChI=1S/2C19H33N3O.C18H30N2O2S.C17H28N2O4S.C16H25N3O2S2.C16H27N3O.2C16H26N2.5C3H8O2S/c1-14-12-22(13-15(2)23-14)19-9-8-18(16(3)17(19)4)21-11-7-5-6-10-20;1-14-10-18(22-12-16(3)23-17(4)13-22)11-15(2)19(14)21-9-7-5-6-8-20;1-14(2)23(21,22)20-13-6-4-5-12-19-18-11-10-16-8-7-9-17(16)15(18)3;1-13(2)24(20,21)19-10-6-4-5-9-18-15-7-8-16-17(14(15)3)23-12-11-22-16;1-12(2)23(20,21)19-10-6-4-5-9-17-14-7-8-15-16(13(14)3)22-11-18-15;1-12(2)19-16(20)14-8-7-9-15(13(14)3)18-11-6-4-5-10-17;1-12-11-16(18-10-5-3-4-9-17)13(2)15-8-6-7-14(12)15;1-12-10-14-6-7-16(13(2)15(14)11-12)18-9-5-3-4-8-17;5*1-3(2)6(4)5/h8-9,14-15,21H,5-7,10-13,20H2,1-4H3;10-11,16-17,21H,5-9,12-13,20H2,1-4H3;10-11,14,19-20H,4-9,12-13H2,1-3H3;7-8,13,18-19H,4-6,9-12H2,1-3H3;7-8,11-12,17,19H,4-6,9-10H2,1-3H3;7-9,12,18H,4-6,10-11,17H2,1-3H3,(H,19,20);11,18H,3-10,17H2,1-2H3;6-7,12,18H,3-5,8-11,17H2,1-2H3;5*3H,1-2H3,(H,4,5)/p-5/t14-,15+;16-,17+
• InChIKey: FQMZQCDKKKUOBE-VARWPEKFSA-I
• XLogP: 27.15
• TPSA: 650.89 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 66
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2995.50
LogP ≤ 5	27.15
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)?

The IUPAC name of 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) (CID 159027110) is 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate).

What is the SMILES notation for 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)?

The canonical SMILES for 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(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-].Cc1c(NCCCCCN)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C.Cc1c(NCCCCCN)ccc2c1CC(C)C2.Cc1c(NCCCCCN)cccc1C(=O)NC(C)C.Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc2c1CCC2.Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc2c1OCCO2.Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc2ncsc12.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1NCCCCCN.Cc1cc(NCCCCCN)c(C)c2c1CCC2.

What is the InChIKey of 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)?

The InChIKey is FQMZQCDKKKUOBE-VARWPEKFSA-I. The full InChI is InChI=1S/2C19H33N3O.C18H30N2O2S.C17H28N2O4S.C16H25N3O2S2.C16H27N3O.2C16H26N2.5C3H8O2S/c1-14-12-22(13-15(2)23-14)19-9-8-18(16(3)17(19)4)21-11-7-5-6-10-20;1-14-10-18(22-12-16(3)23-17(4)13-22)11-15(2)19(14)21-9-7-5-6-8-20;1-14(2)23(21,22)20-13-6-4-5-12-19-18-11-10-16-8-7-9-17(16)15(18)3;1-13(2)24(20,21)19-10-6-4-5-9-18-15-7-8-16-17(14(15)3)23-12-11-22-16;1-12(2)23(20,21)19-10-6-4-5-9-17-14-7-8-15-16(13(14)3)22-11-18-15;1-12(2)19-16(20)14-8-7-9-15(13(14)3)18-11-6-4-5-10-17;1-12-11-16(18-10-5-3-4-9-17)13(2)15-8-6-7-14(12)15;1-12-10-14-6-7-16(13(2)15(14)11-12)18-9-5-3-4-8-17;5*1-3(2)6(4)5/h8-9,14-15,21H,5-7,10-13,20H2,1-4H3;10-11,16-17,21H,5-9,12-13,20H2,1-4H3;10-11,14,19-20H,4-9,12-13H2,1-3H3;7-8,13,18-19H,4-6,9-12H2,1-3H3;7-8,11-12,17,19H,4-6,9-10H2,1-3H3;7-9,12,18H,4-6,10-11,17H2,1-3H3,(H,19,20);11,18H,3-10,17H2,1-2H3;6-7,12,18H,3-5,8-11,17H2,1-2H3;5*3H,1-2H3,(H,4,5)/p-5/t14-,15+;16-,17+;;;;;;;;;;;.

What are the key properties of 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)?

3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) has a molecular weight of 2995.50 g/mol, XLogP of 27.15, 66 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-aminopentylamino)-2-methyl-N-propan-2-ylbenzamide;N'-(2,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]pentane-1,5-diamine;N'-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]pentane-1,5-diamine;N-[5-[(7-methyl-1,3-benzothiazol-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) is sourced from PubChem (CID 159027110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).