[(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane

C18H32N2 — CID 58978798

IUPAC[(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane
SMILESCCC(CC(CC1CCCCC1)=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C18H32N2/c1-2-16(17-11-7-4-8-12-17)14-18(20-19)13-15-9-5-3-6-10-15/h15-17H,2-14H2,1H3
InChIKeyHSTJIBHZIAGKJJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.62
Rot. Bonds6

About [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane

[(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane (PubChem CID 58978798) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane.

Molecular Properties

Compound Name[(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane
PubChem CID58978798
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name[(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane
SMILESCCC(CC(CC1CCCCC1)=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C18H32N2/c1-2-16(17-11-7-4-8-12-17)14-18(20-19)13-15-9-5-3-6-10-15/h15-17H,2-14H2,1H3
InChIKeyHSTJIBHZIAGKJJ-UHFFFAOYSA-N
XLogP5.62
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.62
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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Related Compounds

Diazobicyclohexane
CID 23314028
[Cyclohexyl(diazo)methyl]cyclohexane
CID 18676731
1-Cyclododecyl-2-diazocyclododecane
CID 19989269
3-Pentyl-6-(4-pentylcyclohexyl)-4,5-dihydropyridazine
CID 20456711
(3-Cyclohexyl-2-diazopropyl)cyclohexane
CID 20728935
2-[6-(2-Iminocyclohexyl)hexyl]cyclohexan-1-imine
CID 22150722
Diazobicycloundecane
CID 22171225
[(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane
CID 58978790
1-[(3Z)-4-cyclohexyl-3-diazobutyl]-4-ethylcyclohexane
CID 58978797
1-[(3Z)-4-cyclohexyl-3-diazobutyl]-2-ethylcyclohexane
CID 58978810
1-[(3Z)-4-cyclohexyl-3-diazobutyl]-3-ethylcyclohexane
CID 58978816
N-(cyclohexylideneamino)-2-methylcyclohexan-1-imine
CID 70615985

Frequently Asked Questions

What is the IUPAC name of [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane?
The IUPAC name of [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane (CID 58978798) is [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane.
What is the SMILES notation for [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane?
The canonical SMILES for [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane is CCC(CC(CC1CCCCC1)=[N+]=[N-])C1CCCCC1.
What is the InChIKey of [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane?
The InChIKey is HSTJIBHZIAGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-16(17-11-7-4-8-12-17)14-18(20-19)13-15-9-5-3-6-10-15/h15-17H,2-14H2,1H3.
What are the key properties of [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane?
[(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane has a molecular weight of 276.47 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-6-cyclohexyl-5-diazohexan-3-yl]cyclohexane is sourced from PubChem (CID 58978798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).