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

C14H26N2 — CID 143256761

IUPACethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene
SMILESC=C/C(=C/C(=C)C)C(=C)/N=N/C.CC.CC
InChIInChI=1S/C10H14N2.2C2H6/c1-6-10(7-8(2)3)9(4)12-11-5;2*1-2/h6-7H,1-2,4H2,3,5H3;2*1-2H3/b10-7-,12-11+;;
InChIKeyHFEFPXUEXQNWLK-GXFXOYQBSA-N
MW222.38 g/mol
LogP5.32
Rot. Bonds4

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

ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene (PubChem CID 143256761) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene.

Molecular Properties

Compound Nameethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene
PubChem CID143256761
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene
SMILESC=C/C(=C/C(=C)C)C(=C)/N=N/C.CC.CC
InChIInChI=1S/C10H14N2.2C2H6/c1-6-10(7-8(2)3)9(4)12-11-5;2*1-2/h6-7H,1-2,4H2,3,5H3;2*1-2H3/b10-7-,12-11+;;
InChIKeyHFEFPXUEXQNWLK-GXFXOYQBSA-N
XLogP5.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.38
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
CID 143846998
(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide
CID 144625552
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-methyldiazene
CID 142981168
N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
CID 178001749
ethane;(3E)-3-ethenyl-5-hydroxyhexa-3,5-dien-2-one
CID 169155574
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(Z)-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-2-methylbut-2-en-1-imine
CID 166829969
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077

Frequently Asked Questions

What is the IUPAC name of ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene?
The IUPAC name of ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene (CID 143256761) is ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene.
What is the SMILES notation for ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene?
The canonical SMILES for ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene is C=C/C(=C/C(=C)C)C(=C)/N=N/C.CC.CC.
What is the InChIKey of ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene?
The InChIKey is HFEFPXUEXQNWLK-GXFXOYQBSA-N. The full InChI is InChI=1S/C10H14N2.2C2H6/c1-6-10(7-8(2)3)9(4)12-11-5;2*1-2/h6-7H,1-2,4H2,3,5H3;2*1-2H3/b10-7-,12-11+;;.
What are the key properties of ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene?
ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene has a molecular weight of 222.38 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene is sourced from PubChem (CID 143256761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).