3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)

C₄₉H₆₇N₁₅Y₆-12 — CID 158812615

About 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)

3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium) (PubChem CID 158812615) has the molecular formula C₄₉H₆₇N₁₅Y₆-12 and a molecular weight of 1399.62 g/mol. Its IUPAC name is 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium).

Molecular Properties

• Compound Name: 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)
• PubChem CID: 158812615
• Molecular Formula: C₄₉H₆₇N₁₅Y₆-12
• Molecular Weight: 1399.62 g/mol
• Exact Mass: 1399.01
• IUPAC Name: 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)
• SMILES: C.C/[C-]=C(\C)n1[c-]c(C)nc1.C/[C-]=C(\C)n1[c-]c(C)nc1N.C/[C-]=C(\C)n1[c-]c(N)nc1C.C/[C-]=C(\C)n1[c-]cnc1C.C/[C-]=C(\N)n1[c-]c(C)nc1C.C/[C-]=C/n1[c-]c(C)nc1C.[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/3C8H11N3.3C8H10N2.CH4.6Y/c1-4-8(9)11-5-6(2)10-7(11)3;1-4-7(3)11-5-6(2)10-8(11)9;1-4-6(2)11-5-8(9)10-7(11)3;1-4-8(3)10-5-7(2)9-6-10;1-4-7(2)10-6-5-9-8(10)3;1-4-5-10-6-7(2)9-8(10)3;;;;;;;/h9H2,1-3H3;1-3H3,(H2,9,10);9H2,1-3H3;6H,1-3H3;2*5H,1-3H3;1H4;;;;;;/q6*-2
• InChIKey: TUHSQFDAMDGXNA-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 184.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.62
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)?

The IUPAC name of 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium) (CID 158812615) is 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium).

What is the SMILES notation for 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)?

The canonical SMILES for 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium) is C.C/[C-]=C(\C)n1[c-]c(C)nc1.C/[C-]=C(\C)n1[c-]c(C)nc1N.C/[C-]=C(\C)n1[c-]c(N)nc1C.C/[C-]=C(\C)n1[c-]cnc1C.C/[C-]=C(\N)n1[c-]c(C)nc1C.C/[C-]=C/n1[c-]c(C)nc1C.[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)?

The InChIKey is TUHSQFDAMDGXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N3.3C8H10N2.CH4.6Y/c1-4-8(9)11-5-6(2)10-7(11)3;1-4-7(3)11-5-6(2)10-8(11)9;1-4-6(2)11-5-8(9)10-7(11)3;1-4-8(3)10-5-7(2)9-6-10;1-4-7(2)10-6-5-9-8(10)3;1-4-5-10-6-7(2)9-8(10)3;;;;;;;/h9H2,1-3H3;1-3H3,(H2,9,10);9H2,1-3H3;6H,1-3H3;2*5H,1-3H3;1H4;;;;;;/q6*-2;;;;;;;.

What are the key properties of 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)?

3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium) has a molecular weight of 1399.62 g/mol, XLogP of 8.96, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium) is sourced from PubChem (CID 158812615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158812615 — identifiers, structure, computed properties (public domain)

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