1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+)

C15H29N3OU — CID 164736361

About 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+)

1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+) (PubChem CID 164736361) has the molecular formula C15H29N3OU and a molecular weight of 505.45 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+).

Molecular Properties

• Compound Name: 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+)
• PubChem CID: 164736361
• Molecular Formula: C15H29N3OU
• Molecular Weight: 505.45 g/mol
• Exact Mass: 505.28
• IUPAC Name: 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+)
• SMILES: C[C-](C)C.[CH2-]c1cn(CCOCCC(C)(C)C)nn1.[U+2]
• InChI: InChI=1S/C11H20N3O.C4H9.U/c1-10-9-14(13-12-10)6-8-15-7-5-11(2,3)4;1-4(2)3;/h9H,1,5-8H2,2-4H3;1-3H3;/q2*-1;+2
• InChIKey: NLGJYQQKKRHXJC-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.45
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+)?

The IUPAC name of 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+) (CID 164736361) is 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+).

What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+)?

The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+) is C[C-](C)C.[CH2-]c1cn(CCOCCC(C)(C)C)nn1.[U+2].

What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+)?

The InChIKey is NLGJYQQKKRHXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O.C4H9.U/c1-10-9-14(13-12-10)6-8-15-7-5-11(2,3)4;1-4(2)3;/h9H,1,5-8H2,2-4H3;1-3H3;/q2*-1;+2.

What are the key properties of 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+)?

1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+) has a molecular weight of 505.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,3-dimethylbutoxy)ethyl]-4-methanidyltriazole;2-methylpropane;uranium(2+) is sourced from PubChem (CID 164736361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).