6-[methyl(phosphanyl)amino]hexanal

C₇H₁₆NOP — CID 146297565

About 6-[methyl(phosphanyl)amino]hexanal

6-[methyl(phosphanyl)amino]hexanal (PubChem CID 146297565) has the molecular formula C₇H₁₆NOP and a molecular weight of 161.19 g/mol. Its IUPAC name is 6-[methyl(phosphanyl)amino]hexanal.

Molecular Properties

• Compound Name: 6-[methyl(phosphanyl)amino]hexanal
• PubChem CID: 146297565
• Molecular Formula: C₇H₁₆NOP
• Molecular Weight: 161.19 g/mol
• Exact Mass: 161.10
• IUPAC Name: 6-[methyl(phosphanyl)amino]hexanal
• SMILES: CN(P)CCCCCC=O
• InChI: InChI=1S/C7H16NOP/c1-8(10)6-4-2-3-5-7-9/h7H,2-6,10H2,1H3
• InChIKey: NTYXWUPZXQCVSW-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	161.19
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(phosphanyl)amino]hexanal?

The IUPAC name of 6-[methyl(phosphanyl)amino]hexanal (CID 146297565) is 6-[methyl(phosphanyl)amino]hexanal.

What is the SMILES notation for 6-[methyl(phosphanyl)amino]hexanal?

The canonical SMILES for 6-[methyl(phosphanyl)amino]hexanal is CN(P)CCCCCC=O.

What is the InChIKey of 6-[methyl(phosphanyl)amino]hexanal?

The InChIKey is NTYXWUPZXQCVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NOP/c1-8(10)6-4-2-3-5-7-9/h7H,2-6,10H2,1H3.

What are the key properties of 6-[methyl(phosphanyl)amino]hexanal?

6-[methyl(phosphanyl)amino]hexanal has a molecular weight of 161.19 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[methyl(phosphanyl)amino]hexanal is sourced from PubChem (CID 146297565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146297565 — identifiers, structure, computed properties (public domain)

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