ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene

C15H26N2 — CID 143678833

IUPACethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene
SMILESC=CC1=CC(C)C=CC=C1/N=N/C.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-4-10-8-9(2)6-5-7-11(10)13-12-3;2*1-2/h4-9H,1H2,2-3H3;2*1-2H3/b13-12+;;
InChIKeyZPTURFWFMGGEHT-HPAIREQNSA-N
MW234.39 g/mol
LogP5.32
Rot. Bonds2

About ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene

ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene (PubChem CID 143678833) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene.

Molecular Properties

Compound Nameethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene
PubChem CID143678833
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Nameethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene
SMILESC=CC1=CC(C)C=CC=C1/N=N/C.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-4-10-8-9(2)6-5-7-11(10)13-12-3;2*1-2/h4-9H,1H2,2-3H3;2*1-2H3/b13-12+;;
InChIKeyZPTURFWFMGGEHT-HPAIREQNSA-N
XLogP5.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.39
LogP ≤ 55.32
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'}

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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
5,7-dimethyl-3-propan-2-yl-3H-diazepine
CID 45096252
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
7-ethyl-3H-diazepine
CID 68405229
3-Propylidenediazepine
CID 69059164
(3E,4Z)-3,4-di(ethylidene)pyridazine
CID 88861141

Frequently Asked Questions

What is the IUPAC name of ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene?
The IUPAC name of ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene (CID 143678833) is ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene.
What is the SMILES notation for ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene?
The canonical SMILES for ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene is C=CC1=CC(C)C=CC=C1/N=N/C.CC.CC.
What is the InChIKey of ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene?
The InChIKey is ZPTURFWFMGGEHT-HPAIREQNSA-N. The full InChI is InChI=1S/C11H14N2.2C2H6/c1-4-10-8-9(2)6-5-7-11(10)13-12-3;2*1-2/h4-9H,1H2,2-3H3;2*1-2H3/b13-12+;;.
What are the key properties of ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene?
ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene has a molecular weight of 234.39 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene is sourced from PubChem (CID 143678833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).