Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

C₇H₁₅NO — CID 155624962

About Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (PubChem CID 155624962) has the molecular formula C₇H₁₅NO and a molecular weight of 129.20 g/mol. Its IUPAC name is methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.

Molecular Properties

• Compound Name: Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
• PubChem CID: 155624962
• Molecular Formula: C₇H₁₅NO
• Molecular Weight: 129.20 g/mol
• Exact Mass: 129.12
• IUPAC Name: methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
• SMILES: C=C(C)COCC[NH2+][CH2-]
• InChI: InChI=1S/C7H15NO/c1-7(2)6-9-5-4-8-3/h1,3-6,8H2,2H3
• InChIKey: YSWSTOGKFIQLFK-UHFFFAOYSA-N
• XLogP: -0.07
• TPSA: 25.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	129.20
LogP ≤ 5	-0.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?

The IUPAC name of Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (CID 155624962) is methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.

What is the SMILES notation for Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?

The canonical SMILES for Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is C=C(C)COCC[NH2+][CH2-].

What is the InChIKey of Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?

The InChIKey is YSWSTOGKFIQLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)6-9-5-4-8-3/h1,3-6,8H2,2H3.

What are the key properties of Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?

Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium has a molecular weight of 129.20 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is sourced from PubChem (CID 155624962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155624962 — identifiers, structure, computed properties (public domain)

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