[(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane

C16H28N2 — CID 58978790

IUPAC[(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane
SMILES[N-]=[N+]=C(CCC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C16H28N2/c17-18-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h14-15H,1-13H2
InChIKeyUXQZRJUBPCMDEG-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.99
Rot. Bonds5

About [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane

[(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane (PubChem CID 58978790) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane.

Molecular Properties

Compound Name[(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane
PubChem CID58978790
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name[(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane
SMILES[N-]=[N+]=C(CCC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C16H28N2/c17-18-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h14-15H,1-13H2
InChIKeyUXQZRJUBPCMDEG-UHFFFAOYSA-N
XLogP4.99
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.99
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 [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane?
The IUPAC name of [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane (CID 58978790) is [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane.
What is the SMILES notation for [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane?
The canonical SMILES for [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane is [N-]=[N+]=C(CCC1CCCCC1)CC1CCCCC1.
What is the InChIKey of [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane?
The InChIKey is UXQZRJUBPCMDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c17-18-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h14-15H,1-13H2.
What are the key properties of [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane?
[(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane has a molecular weight of 248.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-4-cyclohexyl-2-diazobutyl]cyclohexane is sourced from PubChem (CID 58978790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).