[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane

C11H22N2 — CID 178007898

IUPAC[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane
SMILESC=C(C)/C=C(\N=N\C)C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-7(2)6-9(8(3)4)11-10-5;1-2/h6,8H,1H2,2-5H3;1-2H3/b9-6-,11-10+;
InChIKeyIFCHEURTTDOHDN-DIPLNALYSA-N
MW182.31 g/mol
LogP4.21
Rot. Bonds3

About [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane

[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane (PubChem CID 178007898) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane.

Molecular Properties

Compound Name[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane
PubChem CID178007898
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane
SMILESC=C(C)/C=C(\N=N\C)C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-7(2)6-9(8(3)4)11-10-5;1-2/h6,8H,1H2,2-5H3;1-2H3/b9-6-,11-10+;
InChIKeyIFCHEURTTDOHDN-DIPLNALYSA-N
XLogP4.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.21
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'}

Analyze [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane?
The IUPAC name of [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane (CID 178007898) is [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane.
What is the SMILES notation for [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane?
The canonical SMILES for [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane is C=C(C)/C=C(\N=N\C)C(C)C.CC.
What is the InChIKey of [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane?
The InChIKey is IFCHEURTTDOHDN-DIPLNALYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-7(2)6-9(8(3)4)11-10-5;1-2/h6,8H,1H2,2-5H3;1-2H3/b9-6-,11-10+;.
What are the key properties of [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane?
[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane has a molecular weight of 182.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene;ethane is sourced from PubChem (CID 178007898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).