ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide

C28H42N2 — CID 144698260

IUPACethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide
SMILESC=C/C=C(C=C)/C=C/C(=N\C1=CC(C)C=C1C=C)N(C)C(/C=C\C)=C/C.CC.CC
InChIInChI=1S/C24H30N2.2C2H6/c1-8-13-20(10-3)15-16-24(26(7)22(12-5)14-9-2)25-23-18-19(6)17-21(23)11-4;2*1-2/h8-19H,1,3-4H2,2,5-7H3;2*1-2H3/b14-9-,16-15+,20-13+,22-12+,25-24+;;
InChIKeyLWDREGWIHQNBAD-ISPXYHRUSA-N
MW406.66 g/mol
LogP8.35
Rot. Bonds8

About ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide

ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide (PubChem CID 144698260) has the molecular formula C28H42N2 and a molecular weight of 406.66 g/mol. Its IUPAC name is ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide.

Molecular Properties

Compound Nameethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide
PubChem CID144698260
Molecular FormulaC28H42N2
Molecular Weight406.66 g/mol
Exact Mass406.33
IUPAC Nameethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide
SMILESC=C/C=C(C=C)/C=C/C(=N\C1=CC(C)C=C1C=C)N(C)C(/C=C\C)=C/C.CC.CC
InChIInChI=1S/C24H30N2.2C2H6/c1-8-13-20(10-3)15-16-24(26(7)22(12-5)14-9-2)25-23-18-19(6)17-21(23)11-4;2*1-2/h8-19H,1,3-4H2,2,5-7H3;2*1-2H3/b14-9-,16-15+,20-13+,22-12+,25-24+;;
InChIKeyLWDREGWIHQNBAD-ISPXYHRUSA-N
XLogP8.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide?
The IUPAC name of ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide (CID 144698260) is ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide.
What is the SMILES notation for ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide?
The canonical SMILES for ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide is C=C/C=C(C=C)/C=C/C(=N\C1=CC(C)C=C1C=C)N(C)C(/C=C\C)=C/C.CC.CC.
What is the InChIKey of ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide?
The InChIKey is LWDREGWIHQNBAD-ISPXYHRUSA-N. The full InChI is InChI=1S/C24H30N2.2C2H6/c1-8-13-20(10-3)15-16-24(26(7)22(12-5)14-9-2)25-23-18-19(6)17-21(23)11-4;2*1-2/h8-19H,1,3-4H2,2,5-7H3;2*1-2H3/b14-9-,16-15+,20-13+,22-12+,25-24+;;.
What are the key properties of ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide?
ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide has a molecular weight of 406.66 g/mol, XLogP of 8.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E)-4-ethenyl-N'-(5-ethenyl-3-methylcyclopenta-1,4-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylhepta-2,4,6-trienimidamide is sourced from PubChem (CID 144698260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).