2-(benzylideneamino)cyclohexan-1-ol

C13H17NO — CID 22328051

IUPAC2-(benzylideneamino)cyclohexan-1-ol
SMILESOC1CCCCC1/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+
InChIKeyDIUMZGBZEYRRFU-GXDHUFHOSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds2

About 2-(benzylideneamino)cyclohexan-1-ol

2-(benzylideneamino)cyclohexan-1-ol (PubChem CID 22328051) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(benzylideneamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(benzylideneamino)cyclohexan-1-ol
PubChem CID22328051
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-(benzylideneamino)cyclohexan-1-ol
SMILESOC1CCCCC1/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+
InChIKeyDIUMZGBZEYRRFU-GXDHUFHOSA-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 2-(benzylideneamino)cyclohexan-1-ol?
The IUPAC name of 2-(benzylideneamino)cyclohexan-1-ol (CID 22328051) is 2-(benzylideneamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(benzylideneamino)cyclohexan-1-ol?
The canonical SMILES for 2-(benzylideneamino)cyclohexan-1-ol is OC1CCCCC1/N=C/c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)cyclohexan-1-ol?
The InChIKey is DIUMZGBZEYRRFU-GXDHUFHOSA-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+.
What are the key properties of 2-(benzylideneamino)cyclohexan-1-ol?
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 2-(benzylideneamino)cyclohexan-1-ol is sourced from PubChem (CID 22328051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).