2-cyclohexyliminoacetaldehyde

C8H13NO — CID 87851899

IUPAC2-cyclohexyliminoacetaldehyde
SMILESO=C/C=N/C1CCCCC1
InChIInChI=1S/C8H13NO/c10-7-6-9-8-4-2-1-3-5-8/h6-8H,1-5H2/b9-6+
InChIKeySWIRKMJMGREJGS-RMKNXTFCSA-N
MW139.20 g/mol
LogP1.59
Rot. Bonds2

About 2-cyclohexyliminoacetaldehyde

2-cyclohexyliminoacetaldehyde (PubChem CID 87851899) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-cyclohexyliminoacetaldehyde.

Molecular Properties

Compound Name2-cyclohexyliminoacetaldehyde
PubChem CID87851899
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-cyclohexyliminoacetaldehyde
SMILESO=C/C=N/C1CCCCC1
InChIInChI=1S/C8H13NO/c10-7-6-9-8-4-2-1-3-5-8/h6-8H,1-5H2/b9-6+
InChIKeySWIRKMJMGREJGS-RMKNXTFCSA-N
XLogP1.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyliminoacetaldehyde?
The IUPAC name of 2-cyclohexyliminoacetaldehyde (CID 87851899) is 2-cyclohexyliminoacetaldehyde.
What is the SMILES notation for 2-cyclohexyliminoacetaldehyde?
The canonical SMILES for 2-cyclohexyliminoacetaldehyde is O=C/C=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyliminoacetaldehyde?
The InChIKey is SWIRKMJMGREJGS-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-6-9-8-4-2-1-3-5-8/h6-8H,1-5H2/b9-6+.
What are the key properties of 2-cyclohexyliminoacetaldehyde?
2-cyclohexyliminoacetaldehyde has a molecular weight of 139.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyliminoacetaldehyde is sourced from PubChem (CID 87851899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).