propyl 3-cyclohexyliminobutanoate

C13H23NO2 — CID 19796797

IUPACpropyl 3-cyclohexyliminobutanoate
SMILESCCCOC(=O)C/C(C)=N/C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-9-16-13(15)10-11(2)14-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3/b14-11+
InChIKeyNRMJYKALXFVPJG-SDNWHVSQSA-N
MW225.33 g/mol
LogP3.12
Rot. Bonds5

About propyl 3-cyclohexyliminobutanoate

propyl 3-cyclohexyliminobutanoate (PubChem CID 19796797) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is propyl 3-cyclohexyliminobutanoate.

Molecular Properties

Compound Namepropyl 3-cyclohexyliminobutanoate
PubChem CID19796797
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namepropyl 3-cyclohexyliminobutanoate
SMILESCCCOC(=O)C/C(C)=N/C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-9-16-13(15)10-11(2)14-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3/b14-11+
InChIKeyNRMJYKALXFVPJG-SDNWHVSQSA-N
XLogP3.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 3-cyclohexyliminobutanoate?
The IUPAC name of propyl 3-cyclohexyliminobutanoate (CID 19796797) is propyl 3-cyclohexyliminobutanoate.
What is the SMILES notation for propyl 3-cyclohexyliminobutanoate?
The canonical SMILES for propyl 3-cyclohexyliminobutanoate is CCCOC(=O)C/C(C)=N/C1CCCCC1.
What is the InChIKey of propyl 3-cyclohexyliminobutanoate?
The InChIKey is NRMJYKALXFVPJG-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-9-16-13(15)10-11(2)14-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3/b14-11+.
What are the key properties of propyl 3-cyclohexyliminobutanoate?
propyl 3-cyclohexyliminobutanoate has a molecular weight of 225.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-cyclohexyliminobutanoate is sourced from PubChem (CID 19796797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).