N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline

C24H32N2 — CID 170614649

IUPACN-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline
SMILESC=CNc1ccccc1/C=C\C(C=C)=C(\C=C/C)CCCC(=C)NCC
InChIInChI=1S/C24H32N2/c1-6-13-22(16-12-14-20(5)25-8-3)21(7-2)18-19-23-15-10-11-17-24(23)26-9-4/h6-7,9-11,13,15,17-19,25-26H,2,4-5,8,12,14,16H2,1,3H3/b13-6-,19-18-,22-21-
InChIKeyUQMPZKHSDJBAEA-HDEHNVETSA-N
MW348.53 g/mol
LogP6.61
Rot. Bonds12

About N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline

N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline (PubChem CID 170614649) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline.

Molecular Properties

Compound NameN-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline
PubChem CID170614649
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline
SMILESC=CNc1ccccc1/C=C\C(C=C)=C(\C=C/C)CCCC(=C)NCC
InChIInChI=1S/C24H32N2/c1-6-13-22(16-12-14-20(5)25-8-3)21(7-2)18-19-23-15-10-11-17-24(23)26-9-4/h6-7,9-11,13,15,17-19,25-26H,2,4-5,8,12,14,16H2,1,3H3/b13-6-,19-18-,22-21-
InChIKeyUQMPZKHSDJBAEA-HDEHNVETSA-N
XLogP6.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline?
The IUPAC name of N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline (CID 170614649) is N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline.
What is the SMILES notation for N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline?
The canonical SMILES for N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline is C=CNc1ccccc1/C=C\C(C=C)=C(\C=C/C)CCCC(=C)NCC.
What is the InChIKey of N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline?
The InChIKey is UQMPZKHSDJBAEA-HDEHNVETSA-N. The full InChI is InChI=1S/C24H32N2/c1-6-13-22(16-12-14-20(5)25-8-3)21(7-2)18-19-23-15-10-11-17-24(23)26-9-4/h6-7,9-11,13,15,17-19,25-26H,2,4-5,8,12,14,16H2,1,3H3/b13-6-,19-18-,22-21-.
What are the key properties of N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline?
N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline has a molecular weight of 348.53 g/mol, XLogP of 6.61, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline is sourced from PubChem (CID 170614649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).