5-methoxy-5-phenylpentan-1-imine

C12H17NO — CID 54208453

IUPAC5-methoxy-5-phenylpentan-1-imine
SMILES[H]/N=C/CCCC(OC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-14-12(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3/b13-10+
InChIKeyPUFBJQLTTOLRFJ-JLHYYAGUSA-N
MW191.27 g/mol
LogP3.19
Rot. Bonds6

About 5-methoxy-5-phenylpentan-1-imine

5-methoxy-5-phenylpentan-1-imine (PubChem CID 54208453) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-methoxy-5-phenylpentan-1-imine.

Molecular Properties

Compound Name5-methoxy-5-phenylpentan-1-imine
PubChem CID54208453
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-methoxy-5-phenylpentan-1-imine
SMILES[H]/N=C/CCCC(OC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-14-12(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3/b13-10+
InChIKeyPUFBJQLTTOLRFJ-JLHYYAGUSA-N
XLogP3.19
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-phenylpentan-1-imine?
The IUPAC name of 5-methoxy-5-phenylpentan-1-imine (CID 54208453) is 5-methoxy-5-phenylpentan-1-imine.
What is the SMILES notation for 5-methoxy-5-phenylpentan-1-imine?
The canonical SMILES for 5-methoxy-5-phenylpentan-1-imine is [H]/N=C/CCCC(OC)c1ccccc1.
What is the InChIKey of 5-methoxy-5-phenylpentan-1-imine?
The InChIKey is PUFBJQLTTOLRFJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-12(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3/b13-10+.
What are the key properties of 5-methoxy-5-phenylpentan-1-imine?
5-methoxy-5-phenylpentan-1-imine has a molecular weight of 191.27 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-phenylpentan-1-imine is sourced from PubChem (CID 54208453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).