2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride

C70H118Cl4N14O14 — CID 173305876

IUPAC2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride
SMILESCCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl.NC(=N/C(N)=N/CCCCCC/N=C(\N)N=C(N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C36H62N4.C22H30Cl2N10.2C6H12O7.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h23-26,31-34H,3-22,27-30H2,1-2H3;5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13);2*1H/t;;2*2-,3-,4+,5-;;/m..11../s1
InChIKeyQPIFPGVTWIMWPW-IWEYRZOISA-N
MW1521.61 g/mol
LogP6.83
Rot. Bonds44

About 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride

2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride (PubChem CID 173305876) has the molecular formula C70H118Cl4N14O14 and a molecular weight of 1521.61 g/mol. Its IUPAC name is 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride.

Molecular Properties

Compound Name2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride
PubChem CID173305876
Molecular FormulaC70H118Cl4N14O14
Molecular Weight1521.61 g/mol
Exact Mass1518.77
IUPAC Name2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride
SMILESCCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl.NC(=N/C(N)=N/CCCCCC/N=C(\N)N=C(N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C36H62N4.C22H30Cl2N10.2C6H12O7.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h23-26,31-34H,3-22,27-30H2,1-2H3;5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13);2*1H/t;;2*2-,3-,4+,5-;;/m..11../s1
InChIKeyQPIFPGVTWIMWPW-IWEYRZOISA-N
XLogP6.83
TPSA489.06 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001521.61
LogP ≤ 56.83
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;propane-1,2,3-triol
CID 131724430
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;2,2-bis(hydroxymethyl)propane-1,3-diol;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173219434
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;azane;methyl hydrogen sulfate;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173248123
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;2,3-dihydroxybutanedioic acid
CID 71487845
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-hexylguanidine;hydrochloride
CID 45260161
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;bis(hexadecanoic acid)
CID 24820965
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;bis(octadecanoic acid)
CID 11983228
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;2-methylprop-2-enoic acid;dihydrochloride
CID 68712256
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;formaldehyde;urea
CID 174805823
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine dichloride
CID 85066607
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;phosphoric acid
CID 70657598
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 173012724

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride?
The IUPAC name of 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride (CID 173305876) is 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride.
What is the SMILES notation for 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride?
The canonical SMILES for 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride is CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl.NC(=N/C(N)=N/CCCCCC/N=C(\N)N=C(N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride?
The InChIKey is QPIFPGVTWIMWPW-IWEYRZOISA-N. The full InChI is InChI=1S/C36H62N4.C22H30Cl2N10.2C6H12O7.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h23-26,31-34H,3-22,27-30H2,1-2H3;5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13);2*1H/t;;2*2-,3-,4+,5-;;/m..11../s1.
What are the key properties of 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride?
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride has a molecular weight of 1521.61 g/mol, XLogP of 6.83, 44 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride is sourced from PubChem (CID 173305876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).