(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene

C10H18N2 — CID 56980884

IUPAC(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene
SMILES[H]/N=N/C12CC(C)CCC1C2(C)C
InChIInChI=1S/C10H18N2/c1-7-4-5-8-9(2,3)10(8,6-7)12-11/h7-8,11H,4-6H2,1-3H3/b12-11+
InChIKeySIZIGQCNBKJJNR-VAWYXSNFSA-N
MW166.27 g/mol
LogP3.23
Rot. Bonds1

About (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene

(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene (PubChem CID 56980884) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene.

Molecular Properties

Compound Name(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene
PubChem CID56980884
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene
SMILES[H]/N=N/C12CC(C)CCC1C2(C)C
InChIInChI=1S/C10H18N2/c1-7-4-5-8-9(2,3)10(8,6-7)12-11/h7-8,11H,4-6H2,1-3H3/b12-11+
InChIKeySIZIGQCNBKJJNR-VAWYXSNFSA-N
XLogP3.23
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene?
The IUPAC name of (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene (CID 56980884) is (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene.
What is the SMILES notation for (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene?
The canonical SMILES for (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene is [H]/N=N/C12CC(C)CCC1C2(C)C.
What is the InChIKey of (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene?
The InChIKey is SIZIGQCNBKJJNR-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-4-5-8-9(2,3)10(8,6-7)12-11/h7-8,11H,4-6H2,1-3H3/b12-11+.
What are the key properties of (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene?
(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene has a molecular weight of 166.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)diazene is sourced from PubChem (CID 56980884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).