methyl 2-cyclohexylidene-N-phenylethanimidate

C15H19NO — CID 615204

IUPACmethyl 2-cyclohexylidene-N-phenylethanimidate
SMILESCO/C(C=C1CCCCC1)=N\c1ccccc1
InChIInChI=1S/C15H19NO/c1-17-15(12-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h3,6-7,10-12H,2,4-5,8-9H2,1H3/b16-15-
InChIKeyMPWFSJZWOACHSL-NXVVXOECSA-N
MW229.32 g/mol
LogP4.25
Rot. Bonds2

About methyl 2-cyclohexylidene-N-phenylethanimidate

methyl 2-cyclohexylidene-N-phenylethanimidate (PubChem CID 615204) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-cyclohexylidene-N-phenylethanimidate.

Molecular Properties

Compound Namemethyl 2-cyclohexylidene-N-phenylethanimidate
PubChem CID615204
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Namemethyl 2-cyclohexylidene-N-phenylethanimidate
SMILESCO/C(C=C1CCCCC1)=N\c1ccccc1
InChIInChI=1S/C15H19NO/c1-17-15(12-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h3,6-7,10-12H,2,4-5,8-9H2,1H3/b16-15-
InChIKeyMPWFSJZWOACHSL-NXVVXOECSA-N
XLogP4.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl 2-cyclohexylidene-N-phenylethanimidate?
The IUPAC name of methyl 2-cyclohexylidene-N-phenylethanimidate (CID 615204) is methyl 2-cyclohexylidene-N-phenylethanimidate.
What is the SMILES notation for methyl 2-cyclohexylidene-N-phenylethanimidate?
The canonical SMILES for methyl 2-cyclohexylidene-N-phenylethanimidate is CO/C(C=C1CCCCC1)=N\c1ccccc1.
What is the InChIKey of methyl 2-cyclohexylidene-N-phenylethanimidate?
The InChIKey is MPWFSJZWOACHSL-NXVVXOECSA-N. The full InChI is InChI=1S/C15H19NO/c1-17-15(12-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h3,6-7,10-12H,2,4-5,8-9H2,1H3/b16-15-.
What are the key properties of methyl 2-cyclohexylidene-N-phenylethanimidate?
methyl 2-cyclohexylidene-N-phenylethanimidate has a molecular weight of 229.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexylidene-N-phenylethanimidate is sourced from PubChem (CID 615204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).