cyclohexyl ethanimidate

C8H15NO — CID 15777991

IUPACcyclohexyl ethanimidate
SMILES[H]/N=C(\C)OC1CCCCC1
InChIInChI=1S/C8H15NO/c1-7(9)10-8-5-3-2-4-6-8/h8-9H,2-6H2,1H3/b9-7+
InChIKeyIYGPRVHWYTWBRI-VQHVLOKHSA-N
MW141.21 g/mol
LogP2.33
Rot. Bonds1

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 Namecyclohexyl ethanimidate
PubChem CID15777991
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Namecyclohexyl ethanimidate
SMILES[H]/N=C(\C)OC1CCCCC1
InChIInChI=1S/C8H15NO/c1-7(9)10-8-5-3-2-4-6-8/h8-9H,2-6H2,1H3/b9-7+
InChIKeyIYGPRVHWYTWBRI-VQHVLOKHSA-N
XLogP2.33
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).