(3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine

C25H39N5 — CID 123467502

IUPAC(3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine
SMILESC=C(/C=C\C(C)=N\CCC)/N=N/C(C)=C/C=C(C)/N=N/C(C)=C/C=C(C)CCCC
InChIInChI=1S/C25H39N5/c1-9-11-12-20(3)13-14-22(5)27-29-24(7)17-18-25(8)30-28-23(6)16-15-21(4)26-19-10-2/h13-18H,6,9-12,19H2,1-5,7-8H3/b16-15-,20-13?,22-14+,24-17+,25-18+,26-21+,29-27+,30-28+
InChIKeyGGICREAYQMPQTL-BHKRMJFUSA-N
MW409.62 g/mol
LogP8.68
Rot. Bonds13

About (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine

(3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine (PubChem CID 123467502) has the molecular formula C25H39N5 and a molecular weight of 409.62 g/mol. Its IUPAC name is (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine
PubChem CID123467502
Molecular FormulaC25H39N5
Molecular Weight409.62 g/mol
Exact Mass409.32
IUPAC Name(3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine
SMILESC=C(/C=C\C(C)=N\CCC)/N=N/C(C)=C/C=C(C)/N=N/C(C)=C/C=C(C)CCCC
InChIInChI=1S/C25H39N5/c1-9-11-12-20(3)13-14-22(5)27-29-24(7)17-18-25(8)30-28-23(6)16-15-21(4)26-19-10-2/h13-18H,6,9-12,19H2,1-5,7-8H3/b16-15-,20-13?,22-14+,24-17+,25-18+,26-21+,29-27+,30-28+
InChIKeyGGICREAYQMPQTL-BHKRMJFUSA-N
XLogP8.68
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine with MolForge

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Related Compounds

(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine
CID 138486150
N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine
CID 142053077
ethane;(E)-5-methyl-2-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-6-N-propan-2-ylidenehex-5-ene-2,6-diimine
CID 144092695
(3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene
CID 164855596
N-[4-(1-cyclohexa-1,5-dien-1-ylethenylimino)-2-methylpent-2-en-3-yl]heptan-1-imine
CID 170199714
(2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine
CID 142324125

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine (CID 123467502) is (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine is C=C(/C=C\C(C)=N\CCC)/N=N/C(C)=C/C=C(C)/N=N/C(C)=C/C=C(C)CCCC.
What is the InChIKey of (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine?
The InChIKey is GGICREAYQMPQTL-BHKRMJFUSA-N. The full InChI is InChI=1S/C25H39N5/c1-9-11-12-20(3)13-14-22(5)27-29-24(7)17-18-25(8)30-28-23(6)16-15-21(4)26-19-10-2/h13-18H,6,9-12,19H2,1-5,7-8H3/b16-15-,20-13?,22-14+,24-17+,25-18+,26-21+,29-27+,30-28+.
What are the key properties of (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine?
(3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine has a molecular weight of 409.62 g/mol, XLogP of 8.68, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine is sourced from PubChem (CID 123467502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).