6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine

C23H33N3O3 — CID 70393638

IUPAC6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine
SMILESCCCCOc1cc(=NC2(OC(C)(C)C)CCCCO2)cnn1-c1ccccc1
InChIInChI=1S/C23H33N3O3/c1-5-6-15-27-21-17-19(18-24-26(21)20-12-8-7-9-13-20)25-23(29-22(2,3)4)14-10-11-16-28-23/h7-9,12-13,17-18H,5-6,10-11,14-16H2,1-4H3
InChIKeyIPXDRHUKXKTZIY-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.62
Rot. Bonds7

About 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine

6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine (PubChem CID 70393638) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine.

Molecular Properties

Compound Name6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine
PubChem CID70393638
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine
SMILESCCCCOc1cc(=NC2(OC(C)(C)C)CCCCO2)cnn1-c1ccccc1
InChIInChI=1S/C23H33N3O3/c1-5-6-15-27-21-17-19(18-24-26(21)20-12-8-7-9-13-20)25-23(29-22(2,3)4)14-10-11-16-28-23/h7-9,12-13,17-18H,5-6,10-11,14-16H2,1-4H3
InChIKeyIPXDRHUKXKTZIY-UHFFFAOYSA-N
XLogP4.62
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine?
The IUPAC name of 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine (CID 70393638) is 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine.
What is the SMILES notation for 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine?
The canonical SMILES for 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine is CCCCOc1cc(=NC2(OC(C)(C)C)CCCCO2)cnn1-c1ccccc1.
What is the InChIKey of 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine?
The InChIKey is IPXDRHUKXKTZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-5-6-15-27-21-17-19(18-24-26(21)20-12-8-7-9-13-20)25-23(29-22(2,3)4)14-10-11-16-28-23/h7-9,12-13,17-18H,5-6,10-11,14-16H2,1-4H3.
What are the key properties of 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine?
6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine has a molecular weight of 399.54 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine is sourced from PubChem (CID 70393638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).