Methanamine;methoxymethane;pentanedial

C₈H₁₉NO₃ — CID 143705104

About Methanamine;methoxymethane;pentanedial

Methanamine;methoxymethane;pentanedial (PubChem CID 143705104) has the molecular formula C₈H₁₉NO₃ and a molecular weight of 177.24 g/mol. Its IUPAC name is methanamine;methoxymethane;pentanedial.

Molecular Properties

• Compound Name: Methanamine;methoxymethane;pentanedial
• PubChem CID: 143705104
• Molecular Formula: C₈H₁₉NO₃
• Molecular Weight: 177.24 g/mol
• Exact Mass: 177.14
• IUPAC Name: methanamine;methoxymethane;pentanedial
• SMILES: CN.COC.O=CCCCC=O
• InChI: InChI=1S/C5H8O2.C2H6O.CH5N/c6-4-2-1-3-5-7;1-3-2;1-2/h4-5H,1-3H2;1-2H3;2H2,1H3
• InChIKey: BWHGJYJMNOCVLO-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 69.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	177.24
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methanamine;methoxymethane;pentanedial?

The IUPAC name of Methanamine;methoxymethane;pentanedial (CID 143705104) is methanamine;methoxymethane;pentanedial.

What is the SMILES notation for Methanamine;methoxymethane;pentanedial?

The canonical SMILES for Methanamine;methoxymethane;pentanedial is CN.COC.O=CCCCC=O.

What is the InChIKey of Methanamine;methoxymethane;pentanedial?

The InChIKey is BWHGJYJMNOCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H6O.CH5N/c6-4-2-1-3-5-7;1-3-2;1-2/h4-5H,1-3H2;1-2H3;2H2,1H3.

What are the key properties of Methanamine;methoxymethane;pentanedial?

Methanamine;methoxymethane;pentanedial has a molecular weight of 177.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methanamine;methoxymethane;pentanedial is sourced from PubChem (CID 143705104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143705104 — identifiers, structure, computed properties (public domain)

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