1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine

C28H32N4O2 — CID 70818073

IUPAC1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCCCCOc1cc(OCC)nn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C28H32N4O2/c1-3-5-18-34-23-19-24(33-4-2)31-32-26(21-10-7-6-8-11-21)25(30-27(23)32)20-12-14-22(15-13-20)28(29)16-9-17-28/h6-8,10-15,19H,3-5,9,16-18,29H2,1-2H3
InChIKeyLBOORVCNXGUHCT-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.98
Rot. Bonds9

About 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine

1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 70818073) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
PubChem CID70818073
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCCCCOc1cc(OCC)nn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C28H32N4O2/c1-3-5-18-34-23-19-24(33-4-2)31-32-26(21-10-7-6-8-11-21)25(30-27(23)32)20-12-14-22(15-13-20)28(29)16-9-17-28/h6-8,10-15,19H,3-5,9,16-18,29H2,1-2H3
InChIKeyLBOORVCNXGUHCT-UHFFFAOYSA-N
XLogP5.98
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.98
H-Bond Donors ≤ 51
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 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (CID 70818073) is 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is CCCCOc1cc(OCC)nn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12.
What is the InChIKey of 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is LBOORVCNXGUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-3-5-18-34-23-19-24(33-4-2)31-32-26(21-10-7-6-8-11-21)25(30-27(23)32)20-12-14-22(15-13-20)28(29)16-9-17-28/h6-8,10-15,19H,3-5,9,16-18,29H2,1-2H3.
What are the key properties of 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 456.59 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-butoxy-6-ethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 70818073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).