1-(4-ethenylphenyl)-N-hexylmethanimine

C15H21N — CID 66742447

IUPAC1-(4-ethenylphenyl)-N-hexylmethanimine
SMILESC=Cc1ccc(/C=N/CCCCCC)cc1
InChIInChI=1S/C15H21N/c1-3-5-6-7-12-16-13-15-10-8-14(4-2)9-11-15/h4,8-11,13H,2-3,5-7,12H2,1H3/b16-13+
InChIKeySTBRQNZJMNEYKN-DTQAZKPQSA-N
MW215.34 g/mol
LogP4.33
Rot. Bonds7

About 1-(4-ethenylphenyl)-N-hexylmethanimine

1-(4-ethenylphenyl)-N-hexylmethanimine (PubChem CID 66742447) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-N-hexylmethanimine.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-N-hexylmethanimine
PubChem CID66742447
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(4-ethenylphenyl)-N-hexylmethanimine
SMILESC=Cc1ccc(/C=N/CCCCCC)cc1
InChIInChI=1S/C15H21N/c1-3-5-6-7-12-16-13-15-10-8-14(4-2)9-11-15/h4,8-11,13H,2-3,5-7,12H2,1H3/b16-13+
InChIKeySTBRQNZJMNEYKN-DTQAZKPQSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.33
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

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1-(3-ethenylphenyl)-N-hexylmethanimine
CID 66742788
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 71347976
[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide
CID 175685800
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-N-hexylmethanimine?
The IUPAC name of 1-(4-ethenylphenyl)-N-hexylmethanimine (CID 66742447) is 1-(4-ethenylphenyl)-N-hexylmethanimine.
What is the SMILES notation for 1-(4-ethenylphenyl)-N-hexylmethanimine?
The canonical SMILES for 1-(4-ethenylphenyl)-N-hexylmethanimine is C=Cc1ccc(/C=N/CCCCCC)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-N-hexylmethanimine?
The InChIKey is STBRQNZJMNEYKN-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H21N/c1-3-5-6-7-12-16-13-15-10-8-14(4-2)9-11-15/h4,8-11,13H,2-3,5-7,12H2,1H3/b16-13+.
What are the key properties of 1-(4-ethenylphenyl)-N-hexylmethanimine?
1-(4-ethenylphenyl)-N-hexylmethanimine has a molecular weight of 215.34 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-N-hexylmethanimine is sourced from PubChem (CID 66742447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).