ethyl 2-(benzylideneamino)hexanoate

C15H21NO2 — CID 59925814

IUPACethyl 2-(benzylideneamino)hexanoate
SMILESCCCCC(/N=C/c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H21NO2/c1-3-5-11-14(15(17)18-4-2)16-12-13-9-7-6-8-10-13/h6-10,12,14H,3-5,11H2,1-2H3/b16-12+
InChIKeyCZPSEFMLFUPGIM-FOWTUZBSSA-N
MW247.34 g/mol
LogP3.23
Rot. Bonds7

About ethyl 2-(benzylideneamino)hexanoate

ethyl 2-(benzylideneamino)hexanoate (PubChem CID 59925814) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-(benzylideneamino)hexanoate.

Molecular Properties

Compound Nameethyl 2-(benzylideneamino)hexanoate
PubChem CID59925814
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-(benzylideneamino)hexanoate
SMILESCCCCC(/N=C/c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H21NO2/c1-3-5-11-14(15(17)18-4-2)16-12-13-9-7-6-8-10-13/h6-10,12,14H,3-5,11H2,1-2H3/b16-12+
InChIKeyCZPSEFMLFUPGIM-FOWTUZBSSA-N
XLogP3.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.23
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 ethyl 2-(benzylideneamino)hexanoate?
The IUPAC name of ethyl 2-(benzylideneamino)hexanoate (CID 59925814) is ethyl 2-(benzylideneamino)hexanoate.
What is the SMILES notation for ethyl 2-(benzylideneamino)hexanoate?
The canonical SMILES for ethyl 2-(benzylideneamino)hexanoate is CCCCC(/N=C/c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(benzylideneamino)hexanoate?
The InChIKey is CZPSEFMLFUPGIM-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-5-11-14(15(17)18-4-2)16-12-13-9-7-6-8-10-13/h6-10,12,14H,3-5,11H2,1-2H3/b16-12+.
What are the key properties of ethyl 2-(benzylideneamino)hexanoate?
ethyl 2-(benzylideneamino)hexanoate has a molecular weight of 247.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylideneamino)hexanoate is sourced from PubChem (CID 59925814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).