4-diazo-1,1-dimethylcyclohexane

C8H14N2 — CID 88781847

IUPAC4-diazo-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(=[N+]=[N-])CC1
InChIInChI=1S/C8H14N2/c1-8(2)5-3-7(10-9)4-6-8/h3-6H2,1-2H3
InChIKeyYXGPEFZFIFEAJI-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.26
Rot. Bonds

About 4-diazo-1,1-dimethylcyclohexane

4-diazo-1,1-dimethylcyclohexane (PubChem CID 88781847) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-diazo-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name4-diazo-1,1-dimethylcyclohexane
PubChem CID88781847
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-diazo-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(=[N+]=[N-])CC1
InChIInChI=1S/C8H14N2/c1-8(2)5-3-7(10-9)4-6-8/h3-6H2,1-2H3
InChIKeyYXGPEFZFIFEAJI-UHFFFAOYSA-N
XLogP2.26
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazo-1,1-dimethylcyclohexane?
The IUPAC name of 4-diazo-1,1-dimethylcyclohexane (CID 88781847) is 4-diazo-1,1-dimethylcyclohexane.
What is the SMILES notation for 4-diazo-1,1-dimethylcyclohexane?
The canonical SMILES for 4-diazo-1,1-dimethylcyclohexane is CC1(C)CCC(=[N+]=[N-])CC1.
What is the InChIKey of 4-diazo-1,1-dimethylcyclohexane?
The InChIKey is YXGPEFZFIFEAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)5-3-7(10-9)4-6-8/h3-6H2,1-2H3.
What are the key properties of 4-diazo-1,1-dimethylcyclohexane?
4-diazo-1,1-dimethylcyclohexane has a molecular weight of 138.21 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-1,1-dimethylcyclohexane is sourced from PubChem (CID 88781847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).