N'-(3-hydroxy-3-methylbutyl)ethanimidamide

C₇H₁₆N₂O — CID 130723765

About N'-(3-hydroxy-3-methylbutyl)ethanimidamide

N'-(3-hydroxy-3-methylbutyl)ethanimidamide (PubChem CID 130723765) has the molecular formula C₇H₁₆N₂O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-(3-hydroxy-3-methylbutyl)ethanimidamide.

Molecular Properties

• Compound Name: N'-(3-hydroxy-3-methylbutyl)ethanimidamide
• PubChem CID: 130723765
• Molecular Formula: C₇H₁₆N₂O
• Molecular Weight: 144.22 g/mol
• Exact Mass: 144.13
• IUPAC Name: N'-(3-hydroxy-3-methylbutyl)ethanimidamide
• SMILES: C/C(N)=N\CCC(C)(C)O
• InChI: InChI=1S/C7H16N2O/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3,(H2,8,9)
• InChIKey: IQHZYBSXDFGEBY-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 58.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	144.22
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-3-methylbutyl)ethanimidamide?

The IUPAC name of N'-(3-hydroxy-3-methylbutyl)ethanimidamide (CID 130723765) is N'-(3-hydroxy-3-methylbutyl)ethanimidamide.

What is the SMILES notation for N'-(3-hydroxy-3-methylbutyl)ethanimidamide?

The canonical SMILES for N'-(3-hydroxy-3-methylbutyl)ethanimidamide is C/C(N)=N\CCC(C)(C)O.

What is the InChIKey of N'-(3-hydroxy-3-methylbutyl)ethanimidamide?

The InChIKey is IQHZYBSXDFGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3,(H2,8,9).

What are the key properties of N'-(3-hydroxy-3-methylbutyl)ethanimidamide?

N'-(3-hydroxy-3-methylbutyl)ethanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3-hydroxy-3-methylbutyl)ethanimidamide is sourced from PubChem (CID 130723765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130723765 — identifiers, structure, computed properties (public domain)

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