N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine

C25H41N — CID 91020618

IUPACN-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine
SMILESCCCCCCCCCCCCCC=CC[C@H](C)/N=C/c1ccccc1
InChIInChI=1S/C25H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-24(2)26-23-25-21-18-16-19-22-25/h15-19,21-24H,3-14,20H2,1-2H3/b17-15?,26-23+/t24-/m0/s1
InChIKeyANTDVSATBOIGNJ-HGBINLNUSA-N
MW355.61 g/mol
LogP8.14
Rot. Bonds16

About N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine

N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine (PubChem CID 91020618) has the molecular formula C25H41N and a molecular weight of 355.61 g/mol. Its IUPAC name is N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine
PubChem CID91020618
Molecular FormulaC25H41N
Molecular Weight355.61 g/mol
Exact Mass355.32
IUPAC NameN-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine
SMILESCCCCCCCCCCCCCC=CC[C@H](C)/N=C/c1ccccc1
InChIInChI=1S/C25H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-24(2)26-23-25-21-18-16-19-22-25/h15-19,21-24H,3-14,20H2,1-2H3/b17-15?,26-23+/t24-/m0/s1
InChIKeyANTDVSATBOIGNJ-HGBINLNUSA-N
XLogP8.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 58.14
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-octadec-1-enyl]benzene
CID 22722345
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
(4E,7E)-2-methylheptadeca-4,7-diene
CID 177270095
(E)-2-methyldec-4-ene
CID 5364887
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
diethyl (E)-2-(benzylideneamino)non-4-enedioate
CID 20563695
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
heptadec-4-enylbenzene
CID 173163087

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine?
The IUPAC name of N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine (CID 91020618) is N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine?
The canonical SMILES for N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine is CCCCCCCCCCCCCC=CC[C@H](C)/N=C/c1ccccc1.
What is the InChIKey of N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine?
The InChIKey is ANTDVSATBOIGNJ-HGBINLNUSA-N. The full InChI is InChI=1S/C25H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-24(2)26-23-25-21-18-16-19-22-25/h15-19,21-24H,3-14,20H2,1-2H3/b17-15?,26-23+/t24-/m0/s1.
What are the key properties of N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine?
N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine has a molecular weight of 355.61 g/mol, XLogP of 8.14, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine is sourced from PubChem (CID 91020618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).