N-hexyl-2-phenylprop-1-en-1-imine

C15H21N — CID 87132233

IUPACN-hexyl-2-phenylprop-1-en-1-imine
SMILESCCCCCCN=C=C(C)c1ccccc1
InChIInChI=1S/C15H21N/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyJKTXTKNQRNKWSB-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.34
Rot. Bonds6

About N-hexyl-2-phenylprop-1-en-1-imine

N-hexyl-2-phenylprop-1-en-1-imine (PubChem CID 87132233) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-hexyl-2-phenylprop-1-en-1-imine.

Molecular Properties

Compound NameN-hexyl-2-phenylprop-1-en-1-imine
PubChem CID87132233
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-hexyl-2-phenylprop-1-en-1-imine
SMILESCCCCCCN=C=C(C)c1ccccc1
InChIInChI=1S/C15H21N/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyJKTXTKNQRNKWSB-UHFFFAOYSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-hexyl-3-phenylbut-2-en-1-imine
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2,2,2-trifluoro-N-octyl-1-phenylethanimine
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CID 525622
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CID 157275379
S-decyl benzenecarbothioate
CID 11616108
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N-hexyl-4-isocyano-1-phenylbutan-1-imine
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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-phenylprop-1-en-1-imine?
The IUPAC name of N-hexyl-2-phenylprop-1-en-1-imine (CID 87132233) is N-hexyl-2-phenylprop-1-en-1-imine.
What is the SMILES notation for N-hexyl-2-phenylprop-1-en-1-imine?
The canonical SMILES for N-hexyl-2-phenylprop-1-en-1-imine is CCCCCCN=C=C(C)c1ccccc1.
What is the InChIKey of N-hexyl-2-phenylprop-1-en-1-imine?
The InChIKey is JKTXTKNQRNKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12H2,1-2H3.
What are the key properties of N-hexyl-2-phenylprop-1-en-1-imine?
N-hexyl-2-phenylprop-1-en-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-phenylprop-1-en-1-imine is sourced from PubChem (CID 87132233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).