cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium

C21H36N3O2Y- — CID 171832856

About cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium

cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium (PubChem CID 171832856) has the molecular formula C21H36N3O2Y- and a molecular weight of 451.44 g/mol. Its IUPAC name is cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium.

Molecular Properties

• Compound Name: cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium
• PubChem CID: 171832856
• Molecular Formula: C21H36N3O2Y-
• Molecular Weight: 451.44 g/mol
• Exact Mass: 451.19
• IUPAC Name: cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium
• SMILES: C1CCC1.C=C(O)C([NH-])CCOCCCCc1ccc(CC)c(NC)n1.[Y]
• InChI: InChI=1S/C17H28N3O2.C4H8.Y/c1-4-14-8-9-15(20-17(14)19-3)7-5-6-11-22-12-10-16(18)13(2)21;1-2-4-3-1;/h8-9,16,18,21H,2,4-7,10-12H2,1,3H3,(H,19,20);1-4H2;/q-1
• InChIKey: BOUHLYHWYGOAHC-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 78.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.44
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium?

The IUPAC name of cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium (CID 171832856) is cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium.

What is the SMILES notation for cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium?

The canonical SMILES for cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium is C1CCC1.C=C(O)C([NH-])CCOCCCCc1ccc(CC)c(NC)n1.[Y].

What is the InChIKey of cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium?

The InChIKey is BOUHLYHWYGOAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N3O2.C4H8.Y/c1-4-14-8-9-15(20-17(14)19-3)7-5-6-11-22-12-10-16(18)13(2)21;1-2-4-3-1;/h8-9,16,18,21H,2,4-7,10-12H2,1,3H3,(H,19,20);1-4H2;/q-1;;.

What are the key properties of cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium?

cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium has a molecular weight of 451.44 g/mol, XLogP of 5.47, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium is sourced from PubChem (CID 171832856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).