(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene

C17H20N2 — CID 142811039

IUPAC(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene
SMILESCC1=CC(C)C=C(/N=N/C2=CC(C)C=CC=C2)C=C1
InChIInChI=1S/C17H20N2/c1-13-6-4-5-7-16(11-13)18-19-17-9-8-14(2)10-15(3)12-17/h4-13,15H,1-3H3/b19-18+
InChIKeyPOXHALWGMGKNDB-VHEBQXMUSA-N
MW252.36 g/mol
LogP5.12
Rot. Bonds2

About (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene

(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene (PubChem CID 142811039) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene.

Molecular Properties

Compound Name(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene
PubChem CID142811039
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene
SMILESCC1=CC(C)C=C(/N=N/C2=CC(C)C=CC=C2)C=C1
InChIInChI=1S/C17H20N2/c1-13-6-4-5-7-16(11-13)18-19-17-9-8-14(2)10-15(3)12-17/h4-13,15H,1-3H3/b19-18+
InChIKeyPOXHALWGMGKNDB-VHEBQXMUSA-N
XLogP5.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.12
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

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4-Azido-2-methylcyclohepta-1,3,5-triene
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(3-Methylcyclohepta-1,3,6-trien-1-yl)-(6-propylcyclohepta-1,4,6-trien-1-yl)diazene
CID 123430879
(5-Methylcyclohepta-1,3,6-trien-1-yl)diazene
CID 123492209
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Methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
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[(3E,5Z,6Z)-5-but-3-en-2-ylidenenona-1,3,6,8-tetraen-4-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene
CID 138723760
3-[(Diiodoamino)diazenyl]-7-methylcyclohepta-1,3,5-triene
CID 141788927
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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene?
The IUPAC name of (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene (CID 142811039) is (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene.
What is the SMILES notation for (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene?
The canonical SMILES for (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene is CC1=CC(C)C=C(/N=N/C2=CC(C)C=CC=C2)C=C1.
What is the InChIKey of (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene?
The InChIKey is POXHALWGMGKNDB-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-6-4-5-7-16(11-13)18-19-17-9-8-14(2)10-15(3)12-17/h4-13,15H,1-3H3/b19-18+.
What are the key properties of (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene?
(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene has a molecular weight of 252.36 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene is sourced from PubChem (CID 142811039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).