1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine

C15H21NO2 — CID 23318357

IUPAC1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine
SMILESCCO/C(=N\c1ccccc1)OC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-2-17-15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/b16-15+
InChIKeyPNJFVMWRAVTHFE-FOCLMDBBSA-N
MW247.34 g/mol
LogP4.06
Rot. Bonds3

About 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine

1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine (PubChem CID 23318357) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine.

Molecular Properties

Compound Name1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine
PubChem CID23318357
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine
SMILESCCO/C(=N\c1ccccc1)OC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-2-17-15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/b16-15+
InChIKeyPNJFVMWRAVTHFE-FOCLMDBBSA-N
XLogP4.06
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine?
The IUPAC name of 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine (CID 23318357) is 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine.
What is the SMILES notation for 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine?
The canonical SMILES for 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine is CCO/C(=N\c1ccccc1)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine?
The InChIKey is PNJFVMWRAVTHFE-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-17-15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/b16-15+.
What are the key properties of 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine?
1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine has a molecular weight of 247.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine is sourced from PubChem (CID 23318357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).