Methyl 2-(cyclohexylmethylideneamino)acetate

C₁₀H₁₇NO₂ — CID 11480853

About Methyl 2-(cyclohexylmethylideneamino)acetate

Methyl 2-(cyclohexylmethylideneamino)acetate (PubChem CID 11480853) has the molecular formula C₁₀H₁₇NO₂ and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-(cyclohexylmethylideneamino)acetate.

Molecular Properties

• Compound Name: Methyl 2-(cyclohexylmethylideneamino)acetate
• PubChem CID: 11480853
• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25 g/mol
• Exact Mass: 183.13
• IUPAC Name: methyl 2-(cyclohexylmethylideneamino)acetate
• SMILES: COC(=O)C/N=C/C1CCCCC1
• InChI: InChI=1S/C10H17NO2/c1-13-10(12)8-11-7-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3/b11-7+
• InChIKey: WBGLPSFFJXSFOH-YRNVUSSQSA-N
• XLogP: 1.81
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.25
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methyl 2-(cyclohexylmethylideneamino)acetate?

The IUPAC name of Methyl 2-(cyclohexylmethylideneamino)acetate (CID 11480853) is methyl 2-(cyclohexylmethylideneamino)acetate.

What is the SMILES notation for Methyl 2-(cyclohexylmethylideneamino)acetate?

The canonical SMILES for Methyl 2-(cyclohexylmethylideneamino)acetate is COC(=O)C/N=C/C1CCCCC1.

What is the InChIKey of Methyl 2-(cyclohexylmethylideneamino)acetate?

The InChIKey is WBGLPSFFJXSFOH-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)8-11-7-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3/b11-7+.

What are the key properties of Methyl 2-(cyclohexylmethylideneamino)acetate?

Methyl 2-(cyclohexylmethylideneamino)acetate has a molecular weight of 183.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-(cyclohexylmethylideneamino)acetate is sourced from PubChem (CID 11480853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11480853 — identifiers, structure, computed properties (public domain)

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