[(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol

C23H30N2O2 — CID 118729880

IUPAC[(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol
SMILESCN(CCON=C(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C23H30N2O2/c1-25(22-15-9-8-14-21(22)18-26)16-17-27-24-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22,26H,8-9,14-18H2,1H3/t21-,22-/m1/s1
InChIKeyYNJAOYIXQFZKJU-FGZHOGPDSA-N
MW366.50 g/mol
LogP3.94
Rot. Bonds8

About [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol

[(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol (PubChem CID 118729880) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol
PubChem CID118729880
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name[(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol
SMILESCN(CCON=C(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C23H30N2O2/c1-25(22-15-9-8-14-21(22)18-26)16-17-27-24-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22,26H,8-9,14-18H2,1H3/t21-,22-/m1/s1
InChIKeyYNJAOYIXQFZKJU-FGZHOGPDSA-N
XLogP3.94
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol?
The IUPAC name of [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol (CID 118729880) is [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol?
The canonical SMILES for [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol is CN(CCON=C(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol?
The InChIKey is YNJAOYIXQFZKJU-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-25(22-15-9-8-14-21(22)18-26)16-17-27-24-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22,26H,8-9,14-18H2,1H3/t21-,22-/m1/s1.
What are the key properties of [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol?
[(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol has a molecular weight of 366.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol is sourced from PubChem (CID 118729880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).