2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate

C14H25NO3 — CID 18705370

About 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 18705370) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 18705370
• Molecular Formula: C14H25NO3
• Molecular Weight: 255.36 g/mol
• Exact Mass: 255.18
• IUPAC Name: 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCC/N=C(\C)CC(C)C
• InChI: InChI=1S/C14H25NO3/c1-11(2)10-13(5)15-6-7-17-8-9-18-14(16)12(3)4/h11H,3,6-10H2,1-2,4-5H3/b15-13+
• InChIKey: KYDWPIWHCRVQSS-FYWRMAATSA-N
• XLogP: 2.63
• TPSA: 47.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.36
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate (CID 18705370) is 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCC/N=C(\C)CC(C)C.

What is the InChIKey of 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is KYDWPIWHCRVQSS-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)10-13(5)15-6-7-17-8-9-18-14(16)12(3)4/h11H,3,6-10H2,1-2,4-5H3/b15-13+.

What are the key properties of 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate?

2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 255.36 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18705370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).