bis(2-methylcyclohexa-2,5-dien-1-yl)diazene

C14H18N2 — CID 173451525

IUPACbis(2-methylcyclohexa-2,5-dien-1-yl)diazene
SMILESCC1=CCC=CC1/N=N/C1C=CCC=C1C
InChIInChI=1S/C14H18N2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h5-10,13-14H,3-4H2,1-2H3/b16-15+
InChIKeyRQEZHKKOYXYSNE-FOCLMDBBSA-N
MW214.31 g/mol
LogP3.99
Rot. Bonds2

About bis(2-methylcyclohexa-2,5-dien-1-yl)diazene

bis(2-methylcyclohexa-2,5-dien-1-yl)diazene (PubChem CID 173451525) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is bis(2-methylcyclohexa-2,5-dien-1-yl)diazene.

Molecular Properties

Compound Namebis(2-methylcyclohexa-2,5-dien-1-yl)diazene
PubChem CID173451525
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Namebis(2-methylcyclohexa-2,5-dien-1-yl)diazene
SMILESCC1=CCC=CC1/N=N/C1C=CCC=C1C
InChIInChI=1S/C14H18N2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h5-10,13-14H,3-4H2,1-2H3/b16-15+
InChIKeyRQEZHKKOYXYSNE-FOCLMDBBSA-N
XLogP3.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.99
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylcyclohexa-2,5-dien-1-yl)diazene?
The IUPAC name of bis(2-methylcyclohexa-2,5-dien-1-yl)diazene (CID 173451525) is bis(2-methylcyclohexa-2,5-dien-1-yl)diazene.
What is the SMILES notation for bis(2-methylcyclohexa-2,5-dien-1-yl)diazene?
The canonical SMILES for bis(2-methylcyclohexa-2,5-dien-1-yl)diazene is CC1=CCC=CC1/N=N/C1C=CCC=C1C.
What is the InChIKey of bis(2-methylcyclohexa-2,5-dien-1-yl)diazene?
The InChIKey is RQEZHKKOYXYSNE-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h5-10,13-14H,3-4H2,1-2H3/b16-15+.
What are the key properties of bis(2-methylcyclohexa-2,5-dien-1-yl)diazene?
bis(2-methylcyclohexa-2,5-dien-1-yl)diazene has a molecular weight of 214.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylcyclohexa-2,5-dien-1-yl)diazene is sourced from PubChem (CID 173451525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).