[cyclohexyl(diazo)methyl]cyclohexane

C13H22N2 — CID 18676731

IUPAC[cyclohexyl(diazo)methyl]cyclohexane
SMILES[N-]=[N+]=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyFFCRRVXFSCAGPA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.82
Rot. Bonds2

About [cyclohexyl(diazo)methyl]cyclohexane

[cyclohexyl(diazo)methyl]cyclohexane (PubChem CID 18676731) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is [cyclohexyl(diazo)methyl]cyclohexane.

Molecular Properties

Compound Name[cyclohexyl(diazo)methyl]cyclohexane
PubChem CID18676731
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name[cyclohexyl(diazo)methyl]cyclohexane
SMILES[N-]=[N+]=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyFFCRRVXFSCAGPA-UHFFFAOYSA-N
XLogP3.82
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.82
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 [cyclohexyl(diazo)methyl]cyclohexane?
The IUPAC name of [cyclohexyl(diazo)methyl]cyclohexane (CID 18676731) is [cyclohexyl(diazo)methyl]cyclohexane.
What is the SMILES notation for [cyclohexyl(diazo)methyl]cyclohexane?
The canonical SMILES for [cyclohexyl(diazo)methyl]cyclohexane is [N-]=[N+]=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(diazo)methyl]cyclohexane?
The InChIKey is FFCRRVXFSCAGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of [cyclohexyl(diazo)methyl]cyclohexane?
[cyclohexyl(diazo)methyl]cyclohexane has a molecular weight of 206.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(diazo)methyl]cyclohexane is sourced from PubChem (CID 18676731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).