N-ethyl-N-[(E)-hexadec-1-enyl]aniline

C24H41N — CID 22151150

IUPACN-ethyl-N-[(E)-hexadec-1-enyl]aniline
SMILESCCCCCCCCCCCCCC/C=C/N(CC)c1ccccc1
InChIInChI=1S/C24H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(4-2)24-21-18-17-19-22-24/h17-23H,3-16H2,1-2H3/b23-20+
InChIKeyAZPLOPPJMCIREF-BSYVCWPDSA-N
MW343.60 g/mol
LogP8.12
Rot. Bonds16

About N-ethyl-N-[(E)-hexadec-1-enyl]aniline

N-ethyl-N-[(E)-hexadec-1-enyl]aniline (PubChem CID 22151150) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is N-ethyl-N-[(E)-hexadec-1-enyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[(E)-hexadec-1-enyl]aniline
PubChem CID22151150
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC NameN-ethyl-N-[(E)-hexadec-1-enyl]aniline
SMILESCCCCCCCCCCCCCC/C=C/N(CC)c1ccccc1
InChIInChI=1S/C24H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(4-2)24-21-18-17-19-22-24/h17-23H,3-16H2,1-2H3/b23-20+
InChIKeyAZPLOPPJMCIREF-BSYVCWPDSA-N
XLogP8.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[(E)-octadec-1-enyl]benzene
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dodec-4-enylbenzene
CID 54018856
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CID 10490195
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptadec-4-enylbenzene
CID 173163087
N,N-diethyltetradec-1-en-1-amine
CID 54402906
ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene
CID 145141205
dimethyl-octadec-9-enyl-phenylazanium
CID 123303773

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(E)-hexadec-1-enyl]aniline?
The IUPAC name of N-ethyl-N-[(E)-hexadec-1-enyl]aniline (CID 22151150) is N-ethyl-N-[(E)-hexadec-1-enyl]aniline.
What is the SMILES notation for N-ethyl-N-[(E)-hexadec-1-enyl]aniline?
The canonical SMILES for N-ethyl-N-[(E)-hexadec-1-enyl]aniline is CCCCCCCCCCCCCC/C=C/N(CC)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(E)-hexadec-1-enyl]aniline?
The InChIKey is AZPLOPPJMCIREF-BSYVCWPDSA-N. The full InChI is InChI=1S/C24H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(4-2)24-21-18-17-19-22-24/h17-23H,3-16H2,1-2H3/b23-20+.
What are the key properties of N-ethyl-N-[(E)-hexadec-1-enyl]aniline?
N-ethyl-N-[(E)-hexadec-1-enyl]aniline has a molecular weight of 343.60 g/mol, XLogP of 8.12, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(E)-hexadec-1-enyl]aniline is sourced from PubChem (CID 22151150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).