(2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine

C19H24N2 — CID 134512054

IUPAC(2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine
SMILESC=C/C=C(\N=C\C=C)C(=C/C)/N=C(/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C19H24N2/c1-7-12-16(6)18(13-8-2)21-17(11-5)19(14-9-3)20-15-10-4/h7-15H,3-4,6H2,1-2,5H3/b12-7-,13-8-,17-11-,19-14-,20-15+,21-18+
InChIKeyDUSJXNVCFFNCMD-LSTRHMKGSA-N
MW280.41 g/mol
LogP5.37
Rot. Bonds8

About (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine

(2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine (PubChem CID 134512054) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine.

Molecular Properties

Compound Name(2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine
PubChem CID134512054
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name(2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine
SMILESC=C/C=C(\N=C\C=C)C(=C/C)/N=C(/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C19H24N2/c1-7-12-16(6)18(13-8-2)21-17(11-5)19(14-9-3)20-15-10-4/h7-15H,3-4,6H2,1-2,5H3/b12-7-,13-8-,17-11-,19-14-,20-15+,21-18+
InChIKeyDUSJXNVCFFNCMD-LSTRHMKGSA-N
XLogP5.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine?
The IUPAC name of (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine (CID 134512054) is (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine.
What is the SMILES notation for (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine?
The canonical SMILES for (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine is C=C/C=C(\N=C\C=C)C(=C/C)/N=C(/C=C\C)C(=C)/C=C\C.
What is the InChIKey of (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine?
The InChIKey is DUSJXNVCFFNCMD-LSTRHMKGSA-N. The full InChI is InChI=1S/C19H24N2/c1-7-12-16(6)18(13-8-2)21-17(11-5)19(14-9-3)20-15-10-4/h7-15H,3-4,6H2,1-2,5H3/b12-7-,13-8-,17-11-,19-14-,20-15+,21-18+.
What are the key properties of (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine?
(2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine has a molecular weight of 280.41 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-5-methylidene-N-[(2Z,4Z)-4-(prop-2-enylideneamino)hepta-2,4,6-trien-3-yl]octa-2,6-dien-4-imine is sourced from PubChem (CID 134512054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).