trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol

C13H17NO — CID 15737537

IUPACtrans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1/N=C/c1ccccc1
InChIInChI=1S/C13H17NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12-13,15H,4-5,8-9H2/b14-10+/t12-,13-/m1/s1
InChIKeyDIUMZGBZEYRRFU-HUPKAIDTSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds2

About trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol

trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol (PubChem CID 15737537) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol
PubChem CID15737537
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Nametrans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1/N=C/c1ccccc1
InChIInChI=1S/C13H17NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12-13,15H,4-5,8-9H2/b14-10+/t12-,13-/m1/s1
InChIKeyDIUMZGBZEYRRFU-HUPKAIDTSA-N
XLogP2.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol (CID 15737537) is trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1/N=C/c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol?
The InChIKey is DIUMZGBZEYRRFU-HUPKAIDTSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12-13,15H,4-5,8-9H2/b14-10+/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol has a molecular weight of 203.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(benzylideneamino)cyclohexan-1-ol is sourced from PubChem (CID 15737537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).