1,2-dicyclohexyl-2-cyclohexyliminoethanone

C20H33NO — CID 91191261

IUPAC1,2-dicyclohexyl-2-cyclohexyliminoethanone
SMILESO=C(/C(=N/C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H33NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h16-18H,1-15H2/b21-19+
InChIKeyFFGJBVACMPTAPD-XUTLUUPISA-N
MW303.49 g/mol
LogP5.49
Rot. Bonds4

About 1,2-dicyclohexyl-2-cyclohexyliminoethanone

1,2-dicyclohexyl-2-cyclohexyliminoethanone (PubChem CID 91191261) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1,2-dicyclohexyl-2-cyclohexyliminoethanone.

Molecular Properties

Compound Name1,2-dicyclohexyl-2-cyclohexyliminoethanone
PubChem CID91191261
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1,2-dicyclohexyl-2-cyclohexyliminoethanone
SMILESO=C(/C(=N/C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H33NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h16-18H,1-15H2/b21-19+
InChIKeyFFGJBVACMPTAPD-XUTLUUPISA-N
XLogP5.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-2-cyclohexyliminoethanone?
The IUPAC name of 1,2-dicyclohexyl-2-cyclohexyliminoethanone (CID 91191261) is 1,2-dicyclohexyl-2-cyclohexyliminoethanone.
What is the SMILES notation for 1,2-dicyclohexyl-2-cyclohexyliminoethanone?
The canonical SMILES for 1,2-dicyclohexyl-2-cyclohexyliminoethanone is O=C(/C(=N/C1CCCCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-2-cyclohexyliminoethanone?
The InChIKey is FFGJBVACMPTAPD-XUTLUUPISA-N. The full InChI is InChI=1S/C20H33NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h16-18H,1-15H2/b21-19+.
What are the key properties of 1,2-dicyclohexyl-2-cyclohexyliminoethanone?
1,2-dicyclohexyl-2-cyclohexyliminoethanone has a molecular weight of 303.49 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-2-cyclohexyliminoethanone is sourced from PubChem (CID 91191261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).