2-(decylamino)ethyl prop-2-enoate

C₁₅H₂₉NO₂ — CID 21488990

About 2-(decylamino)ethyl prop-2-enoate

2-(decylamino)ethyl prop-2-enoate (PubChem CID 21488990) has the molecular formula C₁₅H₂₉NO₂ and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(decylamino)ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-(decylamino)ethyl prop-2-enoate
• PubChem CID: 21488990
• Molecular Formula: C₁₅H₂₉NO₂
• Molecular Weight: 255.40 g/mol
• Exact Mass: 255.22
• IUPAC Name: 2-(decylamino)ethyl prop-2-enoate
• SMILES: C=CC(=O)OCCNCCCCCCCCCC
• InChI: InChI=1S/C15H29NO2/c1-3-5-6-7-8-9-10-11-12-16-13-14-18-15(17)4-2/h4,16H,2-3,5-14H2,1H3
• InChIKey: ODNVMSBMPXJCDX-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.40
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(decylamino)ethyl prop-2-enoate?

The IUPAC name of 2-(decylamino)ethyl prop-2-enoate (CID 21488990) is 2-(decylamino)ethyl prop-2-enoate.

What is the SMILES notation for 2-(decylamino)ethyl prop-2-enoate?

The canonical SMILES for 2-(decylamino)ethyl prop-2-enoate is C=CC(=O)OCCNCCCCCCCCCC.

What is the InChIKey of 2-(decylamino)ethyl prop-2-enoate?

The InChIKey is ODNVMSBMPXJCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-6-7-8-9-10-11-12-16-13-14-18-15(17)4-2/h4,16H,2-3,5-14H2,1H3.

What are the key properties of 2-(decylamino)ethyl prop-2-enoate?

2-(decylamino)ethyl prop-2-enoate has a molecular weight of 255.40 g/mol, XLogP of 3.45, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(decylamino)ethyl prop-2-enoate is sourced from PubChem (CID 21488990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21488990 — identifiers, structure, computed properties (public domain)

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