methyl 2-(benzylideneamino)hexanoate

C14H19NO2 — CID 23074255

IUPACmethyl 2-(benzylideneamino)hexanoate
SMILESCCCCC(/N=C/c1ccccc1)C(=O)OC
InChIInChI=1S/C14H19NO2/c1-3-4-10-13(14(16)17-2)15-11-12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3/b15-11+
InChIKeyAILONUQHDDKHQD-RVDMUPIBSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds6

About methyl 2-(benzylideneamino)hexanoate

methyl 2-(benzylideneamino)hexanoate (PubChem CID 23074255) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(benzylideneamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(benzylideneamino)hexanoate
PubChem CID23074255
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(benzylideneamino)hexanoate
SMILESCCCCC(/N=C/c1ccccc1)C(=O)OC
InChIInChI=1S/C14H19NO2/c1-3-4-10-13(14(16)17-2)15-11-12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3/b15-11+
InChIKeyAILONUQHDDKHQD-RVDMUPIBSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(benzylideneamino)-4-methylsulfanylbutanoate
CID 4866663
methyl 2-(benzylideneamino)-4-methylpentanoate
CID 599873
methyl 2-(benzylideneamino)-4-cyanobutanoate
CID 24976831
ethyl 2-(benzylideneamino)-4-cyanobutanoate
CID 11207281
methyl 2-(benzylideneamino)-3-prop-2-enylsulfanylpropanoate
CID 86196794
methyl (2S)-2-[(4-hydroxyphenyl)methylideneamino]-3-phenylpropanoate
CID 135404719
methyl 2-(benzylideneamino)-3-(2-bromo-3,4-dimethoxyphenyl)propanoate
CID 10386599
methyl 2-phenylsulfanylhexanoate
CID 12957041
methyl 2-(3-phenylprop-2-enoylamino)hexanoate
CID 78410683
methyl 2-azidohexanoate
CID 22742063
methyl (2R)-2-(benzylideneamino)-3-(4-nitrophenyl)sulfanylpropanoate
CID 22820340
diethyl (E)-2-(benzylideneamino)non-4-enedioate
CID 20563695

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylideneamino)hexanoate?
The IUPAC name of methyl 2-(benzylideneamino)hexanoate (CID 23074255) is methyl 2-(benzylideneamino)hexanoate.
What is the SMILES notation for methyl 2-(benzylideneamino)hexanoate?
The canonical SMILES for methyl 2-(benzylideneamino)hexanoate is CCCCC(/N=C/c1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-(benzylideneamino)hexanoate?
The InChIKey is AILONUQHDDKHQD-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-10-13(14(16)17-2)15-11-12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3/b15-11+.
What are the key properties of methyl 2-(benzylideneamino)hexanoate?
methyl 2-(benzylideneamino)hexanoate has a molecular weight of 233.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylideneamino)hexanoate is sourced from PubChem (CID 23074255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).