3-cyclohexylimino-1-phenylpropan-1-ol

C15H21NO — CID 12512265

IUPAC3-cyclohexylimino-1-phenylpropan-1-ol
SMILESOC(C/C=N/C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c17-15(13-7-3-1-4-8-13)11-12-16-14-9-5-2-6-10-14/h1,3-4,7-8,12,14-15,17H,2,5-6,9-11H2/b16-12+
InChIKeyGJPPNMYVWQSUGQ-FOWTUZBSSA-N
MW231.34 g/mol
LogP3.51
Rot. Bonds4

About 3-cyclohexylimino-1-phenylpropan-1-ol

3-cyclohexylimino-1-phenylpropan-1-ol (PubChem CID 12512265) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-cyclohexylimino-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-cyclohexylimino-1-phenylpropan-1-ol
PubChem CID12512265
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-cyclohexylimino-1-phenylpropan-1-ol
SMILESOC(C/C=N/C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c17-15(13-7-3-1-4-8-13)11-12-16-14-9-5-2-6-10-14/h1,3-4,7-8,12,14-15,17H,2,5-6,9-11H2/b16-12+
InChIKeyGJPPNMYVWQSUGQ-FOWTUZBSSA-N
XLogP3.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.51
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 3-cyclohexylimino-1-phenylpropan-1-ol?
The IUPAC name of 3-cyclohexylimino-1-phenylpropan-1-ol (CID 12512265) is 3-cyclohexylimino-1-phenylpropan-1-ol.
What is the SMILES notation for 3-cyclohexylimino-1-phenylpropan-1-ol?
The canonical SMILES for 3-cyclohexylimino-1-phenylpropan-1-ol is OC(C/C=N/C1CCCCC1)c1ccccc1.
What is the InChIKey of 3-cyclohexylimino-1-phenylpropan-1-ol?
The InChIKey is GJPPNMYVWQSUGQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H21NO/c17-15(13-7-3-1-4-8-13)11-12-16-14-9-5-2-6-10-14/h1,3-4,7-8,12,14-15,17H,2,5-6,9-11H2/b16-12+.
What are the key properties of 3-cyclohexylimino-1-phenylpropan-1-ol?
3-cyclohexylimino-1-phenylpropan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylimino-1-phenylpropan-1-ol is sourced from PubChem (CID 12512265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).