ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene

C17H34N2 — CID 170606644

IUPACethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/C.CC.CC/N=N/CC(C)CC
InChIInChI=1S/C8H12.C7H16N2.C2H6/c1-4-6-8(3)7-5-2;1-4-7(3)6-9-8-5-2;1-2/h4-7H,1H2,2-3H3;7H,4-6H2,1-3H3;1-2H3/b7-5-,8-6-;9-8+;
InChIKeyPAZIZUGZPHOVDZ-LLHLAWSMSA-N
MW266.47 g/mol
LogP6.23
Rot. Bonds6

About ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene

ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene (PubChem CID 170606644) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene
PubChem CID170606644
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Nameethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/C.CC.CC/N=N/CC(C)CC
InChIInChI=1S/C8H12.C7H16N2.C2H6/c1-4-6-8(3)7-5-2;1-4-7(3)6-9-8-5-2;1-2/h4-7H,1H2,2-3H3;7H,4-6H2,1-3H3;1-2H3/b7-5-,8-6-;9-8+;
InChIKeyPAZIZUGZPHOVDZ-LLHLAWSMSA-N
XLogP6.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.23
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)-6-azido-4-ethyl-3-ethylidenehex-1-ene
CID 58272050
(4E,6Z)-4-(azidomethyl)-3-methylocta-1,2,4,6-tetraene
CID 117890932
(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene
CID 129161146
(2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium
CID 154981386
methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene
CID 167036941

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The IUPAC name of ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene (CID 170606644) is ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene.
What is the SMILES notation for ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The canonical SMILES for ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene is C=C/C=C(C)\C=C/C.CC.CC/N=N/CC(C)CC.
What is the InChIKey of ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The InChIKey is PAZIZUGZPHOVDZ-LLHLAWSMSA-N. The full InChI is InChI=1S/C8H12.C7H16N2.C2H6/c1-4-6-8(3)7-5-2;1-4-7(3)6-9-8-5-2;1-2/h4-7H,1H2,2-3H3;7H,4-6H2,1-3H3;1-2H3/b7-5-,8-6-;9-8+;.
What are the key properties of ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene?
ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene has a molecular weight of 266.47 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 170606644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).