1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine

C88H148N19O11S6-5 — CID 159501329

About 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine

1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine (PubChem CID 159501329) has the molecular formula C88H148N19O11S6-5 and a molecular weight of 1840.68 g/mol. Its IUPAC name is 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine.

Molecular Properties

• Compound Name: 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine
• PubChem CID: 159501329
• Molecular Formula: C88H148N19O11S6-5
• Molecular Weight: 1840.68 g/mol
• Exact Mass: 1839.00
• IUPAC Name: 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine
• 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-].NCCCCCNc1ccc(-n2cccn2)cc1.NCCCCCNc1ccc(C2=CSNN2)cc1.NCCCCCNc1ccc(N2CCCC2C(N)=O)cc1.NCCCCCNc1ccc2[nH]ccc2c1.NCCCCCNc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C16H26N4O.C14H20N4.C13H20N4S.C13H19N3.C12H18N4.5C4H10O2S/c17-10-2-1-3-11-19-13-6-8-14(9-7-13)20-12-4-5-15(20)16(18)21;15-9-2-1-3-10-16-13-5-7-14(8-6-13)18-12-4-11-17-18;14-8-2-1-3-9-15-12-6-4-11(5-7-12)13-10-18-17-16-13;14-7-2-1-3-8-15-12-4-5-13-11(10-12)6-9-16-13;13-6-2-1-3-7-14-11-4-5-12-10(8-11)9-15-16-12;5*1-4(2,3)7(5)6/h6-9,15,19H,1-5,10-12,17H2,(H2,18,21);4-8,11-12,16H,1-3,9-10,15H2;4-7,10,15-17H,1-3,8-9,14H2;4-6,9-10,15-16H,1-3,7-8,14H2;4-5,8-9,14H,1-3,6-7,13H2,(H,15,16);5*1-3H3,(H,5,6)/p-5
• InChIKey: YUBFNDFYNLNLRO-UHFFFAOYSA-I
• XLogP: 14.51
• TPSA: 523.58 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1840.68
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine?

The IUPAC name of 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine (CID 159501329) is 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine.

What is the SMILES notation for 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine?

The canonical SMILES for 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine 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-].NCCCCCNc1ccc(-n2cccn2)cc1.NCCCCCNc1ccc(C2=CSNN2)cc1.NCCCCCNc1ccc(N2CCCC2C(N)=O)cc1.NCCCCCNc1ccc2[nH]ccc2c1.NCCCCCNc1ccc2[nH]ncc2c1.

What is the InChIKey of 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine?

The InChIKey is YUBFNDFYNLNLRO-UHFFFAOYSA-I. The full InChI is InChI=1S/C16H26N4O.C14H20N4.C13H20N4S.C13H19N3.C12H18N4.5C4H10O2S/c17-10-2-1-3-11-19-13-6-8-14(9-7-13)20-12-4-5-15(20)16(18)21;15-9-2-1-3-10-16-13-5-7-14(8-6-13)18-12-4-11-17-18;14-8-2-1-3-9-15-12-6-4-11(5-7-12)13-10-18-17-16-13;14-7-2-1-3-8-15-12-4-5-13-11(10-12)6-9-16-13;13-6-2-1-3-7-14-11-4-5-12-10(8-11)9-15-16-12;5*1-4(2,3)7(5)6/h6-9,15,19H,1-5,10-12,17H2,(H2,18,21);4-8,11-12,16H,1-3,9-10,15H2;4-7,10,15-17H,1-3,8-9,14H2;4-6,9-10,15-16H,1-3,7-8,14H2;4-5,8-9,14H,1-3,6-7,13H2,(H,15,16);5*1-3H3,(H,5,6)/p-5.

What are the key properties of 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine?

1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine has a molecular weight of 1840.68 g/mol, XLogP of 14.51, 34 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 159501329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).