1-cyclohexyl-2-diazocyclohexane

C12H20N2 — CID 23314028

IUPAC1-cyclohexyl-2-diazocyclohexane
SMILES[N-]=[N+]=C1CCCCC1C1CCCCC1
InChIInChI=1S/C12H20N2/c13-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKeyOINNHFPSAMHHGW-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.43
Rot. Bonds1

About 1-cyclohexyl-2-diazocyclohexane

1-cyclohexyl-2-diazocyclohexane (PubChem CID 23314028) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-diazocyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-2-diazocyclohexane
PubChem CID23314028
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-cyclohexyl-2-diazocyclohexane
SMILES[N-]=[N+]=C1CCCCC1C1CCCCC1
InChIInChI=1S/C12H20N2/c13-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKeyOINNHFPSAMHHGW-UHFFFAOYSA-N
XLogP3.43
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.43
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 1-cyclohexyl-2-diazocyclohexane?
The IUPAC name of 1-cyclohexyl-2-diazocyclohexane (CID 23314028) is 1-cyclohexyl-2-diazocyclohexane.
What is the SMILES notation for 1-cyclohexyl-2-diazocyclohexane?
The canonical SMILES for 1-cyclohexyl-2-diazocyclohexane is [N-]=[N+]=C1CCCCC1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-diazocyclohexane?
The InChIKey is OINNHFPSAMHHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c13-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2.
What are the key properties of 1-cyclohexyl-2-diazocyclohexane?
1-cyclohexyl-2-diazocyclohexane has a molecular weight of 192.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-diazocyclohexane is sourced from PubChem (CID 23314028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).