ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene

C15H26N2 — CID 143256606

IUPACethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene
SMILESC=C/N=N/C(=C)C(C=C)=CC(=C)C.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-6-11(8-9(3)4)10(5)13-12-7-2;2*1-2/h6-8H,1-3,5H2,4H3;2*1-2H3/b11-8-,13-12+;;
InChIKeyHTXUQHZARSFQDM-WKPZCWNJSA-N
MW234.39 g/mol
LogP5.84
Rot. Bonds5

About ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene

ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene (PubChem CID 143256606) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene.

Molecular Properties

Compound Nameethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene
PubChem CID143256606
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Nameethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene
SMILESC=C/N=N/C(=C)C(C=C)=CC(=C)C.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-6-11(8-9(3)4)10(5)13-12-7-2;2*1-2/h6-8H,1-3,5H2,4H3;2*1-2H3/b11-8-,13-12+;;
InChIKeyHTXUQHZARSFQDM-WKPZCWNJSA-N
XLogP5.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-4-(fluoromethyl)hepta-2,4,6-trien-3-yl]-methyldiazene
CID 118543999
5,7-Dimethyl-3h-[1,2]diazepine
CID 15619251
3,5,7-Trimethyl-3H-1,2-diazepine
CID 15619252
3,5-dimethyl-7-propan-2-yl-3H-diazepine
CID 45096244
Tetramethyl-tetraaza[14]annulene
CID 129670588
5,7,12,14-Tetramethyl-tetraaza[14]annulene
CID 129852918
2-Azido-5-propan-2-ylidenecyclopenta-1,3-diene
CID 134861620
3,7-Diethyl-5-methyl-1,2(4H)-diazepine
CID 557158
6-methyl-3H-diazepine
CID 68092515
7-ethyl-3H-diazepine
CID 68405229
3-Propylidenediazepine
CID 69059164
CID 71358921
CID 71358921

Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene?
The IUPAC name of ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene (CID 143256606) is ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene.
What is the SMILES notation for ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene?
The canonical SMILES for ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene is C=C/N=N/C(=C)C(C=C)=CC(=C)C.CC.CC.
What is the InChIKey of ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene?
The InChIKey is HTXUQHZARSFQDM-WKPZCWNJSA-N. The full InChI is InChI=1S/C11H14N2.2C2H6/c1-6-11(8-9(3)4)10(5)13-12-7-2;2*1-2/h6-8H,1-3,5H2,4H3;2*1-2H3/b11-8-,13-12+;;.
What are the key properties of ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene?
ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene has a molecular weight of 234.39 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene is sourced from PubChem (CID 143256606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).