cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene

C12H18N2 — CID 5232523

IUPACcyclohexa-2,4-dien-1-yl(cyclohexyl)diazene
SMILESC1=CCC(/N=N/C2CCCCC2)C=C1
InChIInChI=1S/C12H18N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1,3-4,7,11-12H,2,5-6,8-10H2/b14-13+
InChIKeyVJIMWBXTDFKTKP-BUHFOSPRSA-N
MW190.29 g/mol
LogP3.66
Rot. Bonds2

About cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene

cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene (PubChem CID 5232523) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yl(cyclohexyl)diazene
PubChem CID5232523
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Namecyclohexa-2,4-dien-1-yl(cyclohexyl)diazene
SMILESC1=CCC(/N=N/C2CCCCC2)C=C1
InChIInChI=1S/C12H18N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1,3-4,7,11-12H,2,5-6,8-10H2/b14-13+
InChIKeyVJIMWBXTDFKTKP-BUHFOSPRSA-N
XLogP3.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.66
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

6-Azido-1-ethenylcyclohexene
CID 101490378
2-Cyclohexen-1-yl-azide
CID 11007889
Di(cyclohexa-2,4-dien-1-yl)diazene
CID 19800876
Di(cyclohex-2-en-1-yl)diazene
CID 60113966
Cyclohexa-1,5-dien-1-yl(cyclohex-2-en-1-yl)diazene
CID 89429388
2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene
CID 90160209
3,7,8,8a-Tetrahydrocinnoline
CID 91168124
7,8-Diazabicyclo[4.2.2]deca-2,4,7-triene
CID 71370922
2,3-Diazabicyclo[2.2.2]octa-2,5-diene
CID 85794609
6-Azido-1-(cyclohexen-1-yl)cyclohexene
CID 163934346

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene?
The IUPAC name of cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene (CID 5232523) is cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene.
What is the SMILES notation for cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene?
The canonical SMILES for cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene is C1=CCC(/N=N/C2CCCCC2)C=C1.
What is the InChIKey of cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene?
The InChIKey is VJIMWBXTDFKTKP-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1,3-4,7,11-12H,2,5-6,8-10H2/b14-13+.
What are the key properties of cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene?
cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene has a molecular weight of 190.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yl(cyclohexyl)diazene is sourced from PubChem (CID 5232523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).