2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline

C17H21N — CID 142835497

IUPAC2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline
SMILESC=CC/C=C\C=C/CN(C)c1ccccc1C=C
InChIInChI=1S/C17H21N/c1-4-6-7-8-9-12-15-18(3)17-14-11-10-13-16(17)5-2/h4-5,7-14H,1-2,6,15H2,3H3/b8-7-,12-9-
InChIKeyLXTRSXBNJFRXDL-JNWHFCKMSA-N
MW239.36 g/mol
LogP4.45
Rot. Bonds7

About 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline

2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline (PubChem CID 142835497) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline.

Molecular Properties

Compound Name2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline
PubChem CID142835497
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline
SMILESC=CC/C=C\C=C/CN(C)c1ccccc1C=C
InChIInChI=1S/C17H21N/c1-4-6-7-8-9-12-15-18(3)17-14-11-10-13-16(17)5-2/h4-5,7-14H,1-2,6,15H2,3H3/b8-7-,12-9-
InChIKeyLXTRSXBNJFRXDL-JNWHFCKMSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline?
The IUPAC name of 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline (CID 142835497) is 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline.
What is the SMILES notation for 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline?
The canonical SMILES for 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline is C=CC/C=C\C=C/CN(C)c1ccccc1C=C.
What is the InChIKey of 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline?
The InChIKey is LXTRSXBNJFRXDL-JNWHFCKMSA-N. The full InChI is InChI=1S/C17H21N/c1-4-6-7-8-9-12-15-18(3)17-14-11-10-13-16(17)5-2/h4-5,7-14H,1-2,6,15H2,3H3/b8-7-,12-9-.
What are the key properties of 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline?
2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-methyl-N-[(2Z,4Z)-octa-2,4,7-trienyl]aniline is sourced from PubChem (CID 142835497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).