methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate

C13H23NO2 — CID 91414540

IUPACmethyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate
SMILESCO/C(C)=N/C1CCCCC1C(=O)C(C)C
InChIInChI=1S/C13H23NO2/c1-9(2)13(15)11-7-5-6-8-12(11)14-10(3)16-4/h9,11-12H,5-8H2,1-4H3/b14-10+
InChIKeyIDRFTKPISWKMGW-GXDHUFHOSA-N
MW225.33 g/mol
LogP2.84
Rot. Bonds3

About methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate

methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate (PubChem CID 91414540) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate.

Molecular Properties

Compound Namemethyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate
PubChem CID91414540
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate
SMILESCO/C(C)=N/C1CCCCC1C(=O)C(C)C
InChIInChI=1S/C13H23NO2/c1-9(2)13(15)11-7-5-6-8-12(11)14-10(3)16-4/h9,11-12H,5-8H2,1-4H3/b14-10+
InChIKeyIDRFTKPISWKMGW-GXDHUFHOSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.84
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 methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate?
The IUPAC name of methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate (CID 91414540) is methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate.
What is the SMILES notation for methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate?
The canonical SMILES for methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate is CO/C(C)=N/C1CCCCC1C(=O)C(C)C.
What is the InChIKey of methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate?
The InChIKey is IDRFTKPISWKMGW-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)13(15)11-7-5-6-8-12(11)14-10(3)16-4/h9,11-12H,5-8H2,1-4H3/b14-10+.
What are the key properties of methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate?
methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate has a molecular weight of 225.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-methylpropanoyl)cyclohexyl]ethanimidate is sourced from PubChem (CID 91414540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).