N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine

C110H185F2N17O21S7-6 — CID 159415426

About N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine

N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine (PubChem CID 159415426) has the molecular formula C110H185F2N17O21S7-6 and a molecular weight of 2344.25 g/mol. Its IUPAC name is N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine.

Molecular Properties

• Compound Name: N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine
• PubChem CID: 159415426
• Molecular Formula: C110H185F2N17O21S7-6
• Molecular Weight: 2344.25 g/mol
• Exact Mass: 2342.20
• IUPAC Name: N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)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-].CC(C)(C)S(=O)[O-].COC(=O)c1scc(NCCCCCN)c1C(=O)OC.COc1ccc(CCNCCCCCN)cc1OC.NCCCCCNCCCN1CCOCC1.NCCCCCNc1c2ccccc2nc2ccccc12.NCCCCCNc1cc(-c2ccco2)[nH]n1.NCCCCCNc1cccnc1Oc1ccc(F)cc1F
• InChI: InChI=1S/C18H21N3.C16H19F2N3O.C15H26N2O2.C13H20N2O4S.C12H18N4O.C12H27N3O.6C4H10O2S/c19-12-6-1-7-13-20-18-14-8-2-4-10-16(14)21-17-11-5-3-9-15(17)18;17-12-6-7-15(13(18)11-12)22-16-14(5-4-10-21-16)20-9-3-1-2-8-19;1-18-14-7-6-13(12-15(14)19-2)8-11-17-10-5-3-4-9-16;1-18-12(16)10-9(15-7-5-3-4-6-14)8-20-11(10)13(17)19-2;13-6-2-1-3-7-14-12-9-10(15-16-12)11-5-4-8-17-11;13-5-2-1-3-6-14-7-4-8-15-9-11-16-12-10-15;6*1-4(2,3)7(5)6/h2-5,8-11H,1,6-7,12-13,19H2,(H,20,21);4-7,10-11,20H,1-3,8-9,19H2;6-7,12,17H,3-5,8-11,16H2,1-2H3;8,15H,3-7,14H2,1-2H3;4-5,8-9H,1-3,6-7,13H2,(H2,14,15,16);14H,1-13H2;6*1-3H3,(H,5,6)/p-6
• InChIKey: DNCKNEBBXZNTJJ-UHFFFAOYSA-H
• XLogP: 18.07
• TPSA: 629.44 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 48
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.25
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine?

The IUPAC name of N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine (CID 159415426) is N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine.

What is the SMILES notation for N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine?

The canonical SMILES for N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)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-].CC(C)(C)S(=O)[O-].COC(=O)c1scc(NCCCCCN)c1C(=O)OC.COc1ccc(CCNCCCCCN)cc1OC.NCCCCCNCCCN1CCOCC1.NCCCCCNc1c2ccccc2nc2ccccc12.NCCCCCNc1cc(-c2ccco2)[nH]n1.NCCCCCNc1cccnc1Oc1ccc(F)cc1F.

What is the InChIKey of N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine?

The InChIKey is DNCKNEBBXZNTJJ-UHFFFAOYSA-H. The full InChI is InChI=1S/C18H21N3.C16H19F2N3O.C15H26N2O2.C13H20N2O4S.C12H18N4O.C12H27N3O.6C4H10O2S/c19-12-6-1-7-13-20-18-14-8-2-4-10-16(14)21-17-11-5-3-9-15(17)18;17-12-6-7-15(13(18)11-12)22-16-14(5-4-10-21-16)20-9-3-1-2-8-19;1-18-14-7-6-13(12-15(14)19-2)8-11-17-10-5-3-4-9-16;1-18-12(16)10-9(15-7-5-3-4-6-14)8-20-11(10)13(17)19-2;13-6-2-1-3-7-14-12-9-10(15-16-12)11-5-4-8-17-11;13-5-2-1-3-6-14-7-4-8-15-9-11-16-12-10-15;6*1-4(2,3)7(5)6/h2-5,8-11H,1,6-7,12-13,19H2,(H,20,21);4-7,10-11,20H,1-3,8-9,19H2;6-7,12,17H,3-5,8-11,16H2,1-2H3;8,15H,3-7,14H2,1-2H3;4-5,8-9H,1-3,6-7,13H2,(H2,14,15,16);14H,1-13H2;6*1-3H3,(H,5,6)/p-6.

What are the key properties of N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine?

N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine has a molecular weight of 2344.25 g/mol, XLogP of 18.07, 48 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 159415426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).