1-(benzylideneamino)cyclohexan-1-ol

C13H17NO — CID 68565546

IUPAC1-(benzylideneamino)cyclohexan-1-ol
SMILESOC1(N=Cc2ccccc2)CCCCC1
InChIInChI=1S/C13H17NO/c15-13(9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1,3-4,7-8,11,15H,2,5-6,9-10H2
InChIKeyRKMPUDNDISAPQZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.76
Rot. Bonds2

About 1-(benzylideneamino)cyclohexan-1-ol

1-(benzylideneamino)cyclohexan-1-ol (PubChem CID 68565546) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(benzylideneamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(benzylideneamino)cyclohexan-1-ol
PubChem CID68565546
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(benzylideneamino)cyclohexan-1-ol
SMILESOC1(N=Cc2ccccc2)CCCCC1
InChIInChI=1S/C13H17NO/c15-13(9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1,3-4,7-8,11,15H,2,5-6,9-10H2
InChIKeyRKMPUDNDISAPQZ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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 1-(benzylideneamino)cyclohexan-1-ol?
The IUPAC name of 1-(benzylideneamino)cyclohexan-1-ol (CID 68565546) is 1-(benzylideneamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(benzylideneamino)cyclohexan-1-ol?
The canonical SMILES for 1-(benzylideneamino)cyclohexan-1-ol is OC1(N=Cc2ccccc2)CCCCC1.
What is the InChIKey of 1-(benzylideneamino)cyclohexan-1-ol?
The InChIKey is RKMPUDNDISAPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13(9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1,3-4,7-8,11,15H,2,5-6,9-10H2.
What are the key properties of 1-(benzylideneamino)cyclohexan-1-ol?
1-(benzylideneamino)cyclohexan-1-ol has a molecular weight of 203.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)cyclohexan-1-ol is sourced from PubChem (CID 68565546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).