(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene

C15H20N2 — CID 91539939

IUPAC(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene
SMILESCCC1=CC=C(/N=N/C2=CC=C(C)CC2)CC1
InChIInChI=1S/C15H20N2/c1-3-13-6-10-15(11-7-13)17-16-14-8-4-12(2)5-9-14/h4,6,8,10H,3,5,7,9,11H2,1-2H3/b17-16+
InChIKeyGHYJVNVAKXFDMC-WUKNDPDISA-N
MW228.34 g/mol
LogP5.08
Rot. Bonds3

About (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene

(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene (PubChem CID 91539939) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene.

Molecular Properties

Compound Name(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene
PubChem CID91539939
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene
SMILESCCC1=CC=C(/N=N/C2=CC=C(C)CC2)CC1
InChIInChI=1S/C15H20N2/c1-3-13-6-10-15(11-7-13)17-16-14-8-4-12(2)5-9-14/h4,6,8,10H,3,5,7,9,11H2,1-2H3/b17-16+
InChIKeyGHYJVNVAKXFDMC-WUKNDPDISA-N
XLogP5.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.34
LogP ≤ 55.08
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

1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 123323176
CID 142144499
CID 142144499
(Z)-but-2-ene;1,4-diethylcyclohexa-1,3-diene
CID 143221988
N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]propan-1-amine
CID 123995731
1-ethyl-4-ethynylcyclohexa-1,3-diene
CID 163565857
4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142067704
N-ethyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
CID 91419572
2-(4-ethylcyclohexa-1,3-dien-1-yl)acetonitrile
CID 129089439
1-ethyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 89161594
1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
CID 143168816
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
ethane;1-(5-methoxypentyl)-4-methylcyclohexa-1,3-diene
CID 143283081

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene?
The IUPAC name of (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene (CID 91539939) is (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene.
What is the SMILES notation for (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene?
The canonical SMILES for (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene is CCC1=CC=C(/N=N/C2=CC=C(C)CC2)CC1.
What is the InChIKey of (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene?
The InChIKey is GHYJVNVAKXFDMC-WUKNDPDISA-N. The full InChI is InChI=1S/C15H20N2/c1-3-13-6-10-15(11-7-13)17-16-14-8-4-12(2)5-9-14/h4,6,8,10H,3,5,7,9,11H2,1-2H3/b17-16+.
What are the key properties of (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene?
(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene has a molecular weight of 228.34 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene is sourced from PubChem (CID 91539939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).