(E)-N-methoxy-1-phenylpentan-1-imine

C12H17NO — CID 12639724

IUPAC(E)-N-methoxy-1-phenylpentan-1-imine
SMILESCCCC/C(=N\OC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-4-10-12(13-14-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/b13-12+
InChIKeyRNDVXOSSNFWIMI-OUKQBFOZSA-N
MW191.27 g/mol
LogP3.23
Rot. Bonds5

About (E)-N-methoxy-1-phenylpentan-1-imine

(E)-N-methoxy-1-phenylpentan-1-imine (PubChem CID 12639724) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-N-methoxy-1-phenylpentan-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-1-phenylpentan-1-imine
PubChem CID12639724
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-N-methoxy-1-phenylpentan-1-imine
SMILESCCCC/C(=N\OC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-4-10-12(13-14-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/b13-12+
InChIKeyRNDVXOSSNFWIMI-OUKQBFOZSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-phenylpentan-1-imine?
The IUPAC name of (E)-N-methoxy-1-phenylpentan-1-imine (CID 12639724) is (E)-N-methoxy-1-phenylpentan-1-imine.
What is the SMILES notation for (E)-N-methoxy-1-phenylpentan-1-imine?
The canonical SMILES for (E)-N-methoxy-1-phenylpentan-1-imine is CCCC/C(=N\OC)c1ccccc1.
What is the InChIKey of (E)-N-methoxy-1-phenylpentan-1-imine?
The InChIKey is RNDVXOSSNFWIMI-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-10-12(13-14-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/b13-12+.
What are the key properties of (E)-N-methoxy-1-phenylpentan-1-imine?
(E)-N-methoxy-1-phenylpentan-1-imine has a molecular weight of 191.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-phenylpentan-1-imine is sourced from PubChem (CID 12639724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).