Cyclohexyl ethanimidate

C₈H₁₅NO — CID 15777991

About Cyclohexyl ethanimidate

Cyclohexyl ethanimidate (PubChem CID 15777991) has the molecular formula C₈H₁₅NO and a molecular weight of 141.21 g/mol. Its IUPAC name is cyclohexyl ethanimidate.

Molecular Properties

• Compound Name: Cyclohexyl ethanimidate
• PubChem CID: 15777991
• Molecular Formula: C₈H₁₅NO
• Molecular Weight: 141.21 g/mol
• Exact Mass: 141.12
• IUPAC Name: cyclohexyl ethanimidate
• SMILES: [H]/N=C(\C)OC1CCCCC1
• InChI: InChI=1S/C8H15NO/c1-7(9)10-8-5-3-2-4-6-8/h8-9H,2-6H2,1H3/b9-7+
• InChIKey: IYGPRVHWYTWBRI-VQHVLOKHSA-N
• XLogP: 2.33
• TPSA: 33.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	141.21
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cyclohexyl ethanimidate?

The IUPAC name of Cyclohexyl ethanimidate (CID 15777991) is cyclohexyl ethanimidate.

What is the SMILES notation for Cyclohexyl ethanimidate?

The canonical SMILES for Cyclohexyl ethanimidate is [H]/N=C(\C)OC1CCCCC1.

What is the InChIKey of Cyclohexyl ethanimidate?

The InChIKey is IYGPRVHWYTWBRI-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(9)10-8-5-3-2-4-6-8/h8-9H,2-6H2,1H3/b9-7+.

What are the key properties of Cyclohexyl ethanimidate?

Cyclohexyl ethanimidate has a molecular weight of 141.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclohexyl ethanimidate is sourced from PubChem (CID 15777991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15777991 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.