(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine

C23H33N3 — CID 143343273

IUPAC(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)CNC(=C)C(/C=C\C)=N/C(C)=C/C=N/C)C(=C)CC
InChIInChI=1S/C23H33N3/c1-9-12-23(26-20(6)15-16-24-8)21(7)25-17-18(4)13-14-22(11-3)19(5)10-2/h9,11-16,25H,3,5,7,10,17H2,1-2,4,6,8H3/b12-9-,18-13+,20-15+,22-14+,24-16+,26-23+
InChIKeyURIXJGZGHUEBON-PVTKRPONSA-N
MW351.54 g/mol
LogP5.74
Rot. Bonds11

About (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine

(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine (PubChem CID 143343273) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine
PubChem CID143343273
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)CNC(=C)C(/C=C\C)=N/C(C)=C/C=N/C)C(=C)CC
InChIInChI=1S/C23H33N3/c1-9-12-23(26-20(6)15-16-24-8)21(7)25-17-18(4)13-14-22(11-3)19(5)10-2/h9,11-16,25H,3,5,7,10,17H2,1-2,4,6,8H3/b12-9-,18-13+,20-15+,22-14+,24-16+,26-23+
InChIKeyURIXJGZGHUEBON-PVTKRPONSA-N
XLogP5.74
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine (CID 143343273) is (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine is C=C/C(=C\C=C(/C)CNC(=C)C(/C=C\C)=N/C(C)=C/C=N/C)C(=C)CC.
What is the InChIKey of (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine?
The InChIKey is URIXJGZGHUEBON-PVTKRPONSA-N. The full InChI is InChI=1S/C23H33N3/c1-9-12-23(26-20(6)15-16-24-8)21(7)25-17-18(4)13-14-22(11-3)19(5)10-2/h9,11-16,25H,3,5,7,10,17H2,1-2,4,6,8H3/b12-9-,18-13+,20-15+,22-14+,24-16+,26-23+.
What are the key properties of (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine?
(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine has a molecular weight of 351.54 g/mol, XLogP of 5.74, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine is sourced from PubChem (CID 143343273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).