1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol

C22H31ClN2O2 — CID 54573142

IUPAC1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol
SMILESOC(CNC1CCCCC1)CON=C1CCCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C22H31ClN2O2/c23-19-12-10-17(11-13-19)14-18-6-4-5-9-22(18)25-27-16-21(26)15-24-20-7-2-1-3-8-20/h10-14,20-21,24,26H,1-9,15-16H2
InChIKeyZYSOXDFPGLLAPB-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.95
Rot. Bonds7

About 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol

1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol (PubChem CID 54573142) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol
PubChem CID54573142
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol
SMILESOC(CNC1CCCCC1)CON=C1CCCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C22H31ClN2O2/c23-19-12-10-17(11-13-19)14-18-6-4-5-9-22(18)25-27-16-21(26)15-24-20-7-2-1-3-8-20/h10-14,20-21,24,26H,1-9,15-16H2
InChIKeyZYSOXDFPGLLAPB-UHFFFAOYSA-N
XLogP4.95
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol?
The IUPAC name of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol (CID 54573142) is 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol.
What is the SMILES notation for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol?
The canonical SMILES for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol is OC(CNC1CCCCC1)CON=C1CCCCC1=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol?
The InChIKey is ZYSOXDFPGLLAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c23-19-12-10-17(11-13-19)14-18-6-4-5-9-22(18)25-27-16-21(26)15-24-20-7-2-1-3-8-20/h10-14,20-21,24,26H,1-9,15-16H2.
What are the key properties of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol?
1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol has a molecular weight of 390.96 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(cyclohexylamino)propan-2-ol is sourced from PubChem (CID 54573142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).