N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine

C67H125F6N3O13S4 — CID 91581365

About N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine

N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine (PubChem CID 91581365) has the molecular formula C67H125F6N3O13S4 and a molecular weight of 1423.00 g/mol. Its IUPAC name is N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine.

Molecular Properties

• Compound Name: N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine
• PubChem CID: 91581365
• Molecular Formula: C67H125F6N3O13S4
• Molecular Weight: 1423.00 g/mol
• Exact Mass: 1421.80
• IUPAC Name: N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine
• SMILES: CCCCSCCCOC(COCCCSCCCCCCCCCC(F)(F)F)COCC(COCC(COCCCSCCCCCCCCCC(F)(F)F)OCCCSCCCC)/N=C/C(COC(COCC1COC(C)(C)O1)COCC1COC(C)(C)O1)=NN
• InChI: InChI=1S/C67H125F6N3O13S4/c1-7-9-35-90-41-27-33-83-59(47-77-31-25-39-92-37-23-19-15-11-13-17-21-29-66(68,69)70)49-79-44-58(75-43-57(76-74)46-85-61(51-81-53-62-55-86-64(3,4)88-62)52-82-54-63-56-87-65(5,6)89-63)45-80-50-60(84-34-28-42-91-36-10-8-2)48-78-32-26-40-93-38-24-20-16-12-14-18-22-30-67(71,72)73/h43,58-63H,7-42,44-56,74H2,1-6H3/b75-43+,76-57?
• InChIKey: NMYWGZQDDGBJQG-GRPDHICNSA-N
• XLogP: 15.76
• TPSA: 170.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 67
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1423.00
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine?

The IUPAC name of N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine (CID 91581365) is N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine.

What is the SMILES notation for N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine?

The canonical SMILES for N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine is CCCCSCCCOC(COCCCSCCCCCCCCCC(F)(F)F)COCC(COCC(COCCCSCCCCCCCCCC(F)(F)F)OCCCSCCCC)/N=C/C(COC(COCC1COC(C)(C)O1)COCC1COC(C)(C)O1)=NN.

What is the InChIKey of N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine?

The InChIKey is NMYWGZQDDGBJQG-GRPDHICNSA-N. The full InChI is InChI=1S/C67H125F6N3O13S4/c1-7-9-35-90-41-27-33-83-59(47-77-31-25-39-92-37-23-19-15-11-13-17-21-29-66(68,69)70)49-79-44-58(75-43-57(76-74)46-85-61(51-81-53-62-55-86-64(3,4)88-62)52-82-54-63-56-87-65(5,6)89-63)45-80-50-60(84-34-28-42-91-36-10-8-2)48-78-32-26-40-93-38-24-20-16-12-14-18-22-30-67(71,72)73/h43,58-63H,7-42,44-56,74H2,1-6H3/b75-43+,76-57?.

What are the key properties of N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine?

N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine has a molecular weight of 1423.00 g/mol, XLogP of 15.76, 67 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,3-bis[2-(3-butylsulfanylpropoxy)-3-[3-(10,10,10-trifluorodecylsulfanyl)propoxy]propoxy]propan-2-yl]-3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-hydrazinylidenepropan-1-imine is sourced from PubChem (CID 91581365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).