1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate)

C102H186N19O13S6Si2-5 — CID 159463502

About 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate)

1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate) (PubChem CID 159463502) has the molecular formula C102H186N19O13S6Si2-5 and a molecular weight of 2135.30 g/mol. Its IUPAC name is 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate).

Molecular Properties

• Compound Name: 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate)
• PubChem CID: 159463502
• Molecular Formula: C102H186N19O13S6Si2-5
• Molecular Weight: 2135.30 g/mol
• Exact Mass: 2133.24
• IUPAC Name: 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate)
• 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(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCCCCCN)cc1.NCCCCCNc1ccc(C2=CSNN2)cc1.NCCCCCNc1ccc(N2C=CNC2)cc1.NCCCCCNc1ccc(N2CCCC2C(N)=O)cc1.NCCCCCNc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C27H55N3O2Si2.C16H26N4O.C14H22N4.C13H20N4S.C12H18N4.5C4H10O2S/c1-26(2,3)33(7,8)31-22-20-30(21-23-32-34(9,10)27(4,5)6)25-16-14-24(15-17-25)29-19-13-11-12-18-28;17-10-2-1-3-11-19-13-6-8-14(9-7-13)20-12-4-5-15(20)16(18)21;15-8-2-1-3-9-17-13-4-6-14(7-5-13)18-11-10-16-12-18;14-8-2-1-3-9-15-12-6-4-11(5-7-12)13-10-18-17-16-13;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/h14-17,29H,11-13,18-23,28H2,1-10H3;6-9,15,19H,1-5,10-12,17H2,(H2,18,21);4-7,10-11,16-17H,1-3,8-9,12,15H2;4-7,10,15-17H,1-3,8-9,14H2;4-5,8-9,14H,1-3,6-7,13H2,(H,15,16);5*1-3H3,(H,5,6)/p-5
• InChIKey: DUYWRUMLQCDLCW-UHFFFAOYSA-I
• XLogP: 18.53
• TPSA: 526.94 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 43
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2135.30
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate)?

The IUPAC name of 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate) (CID 159463502) is 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate).

What is the SMILES notation for 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate)?

The canonical SMILES for 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate) 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(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCCCCCN)cc1.NCCCCCNc1ccc(C2=CSNN2)cc1.NCCCCCNc1ccc(N2C=CNC2)cc1.NCCCCCNc1ccc(N2CCCC2C(N)=O)cc1.NCCCCCNc1ccc2[nH]ncc2c1.

What is the InChIKey of 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate)?

The InChIKey is DUYWRUMLQCDLCW-UHFFFAOYSA-I. The full InChI is InChI=1S/C27H55N3O2Si2.C16H26N4O.C14H22N4.C13H20N4S.C12H18N4.5C4H10O2S/c1-26(2,3)33(7,8)31-22-20-30(21-23-32-34(9,10)27(4,5)6)25-16-14-24(15-17-25)29-19-13-11-12-18-28;17-10-2-1-3-11-19-13-6-8-14(9-7-13)20-12-4-5-15(20)16(18)21;15-8-2-1-3-9-17-13-4-6-14(7-5-13)18-11-10-16-12-18;14-8-2-1-3-9-15-12-6-4-11(5-7-12)13-10-18-17-16-13;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/h14-17,29H,11-13,18-23,28H2,1-10H3;6-9,15,19H,1-5,10-12,17H2,(H2,18,21);4-7,10-11,16-17H,1-3,8-9,12,15H2;4-7,10,15-17H,1-3,8-9,14H2;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;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate)?

1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate) has a molecular weight of 2135.30 g/mol, XLogP of 18.53, 43 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;1-N-(5-aminopentyl)-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N'-[4-(1,2-dihydroimidazol-3-yl)phenyl]pentane-1,5-diamine;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 159463502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).