cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene

C14H21N3O — CID 21387201

IUPACcyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene
SMILESCOC(C)(/N=N/C1CCCCC1)c1ccncc1
InChIInChI=1S/C14H21N3O/c1-14(18-2,12-8-10-15-11-9-12)17-16-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3/b17-16+
InChIKeyVUYQEMGACXZGAH-WUKNDPDISA-N
MW247.34 g/mol
LogP3.69
Rot. Bonds4

About cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene

cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene (PubChem CID 21387201) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene.

Molecular Properties

Compound Namecyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene
PubChem CID21387201
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Namecyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene
SMILESCOC(C)(/N=N/C1CCCCC1)c1ccncc1
InChIInChI=1S/C14H21N3O/c1-14(18-2,12-8-10-15-11-9-12)17-16-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3/b17-16+
InChIKeyVUYQEMGACXZGAH-WUKNDPDISA-N
XLogP3.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene?
The IUPAC name of cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene (CID 21387201) is cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene.
What is the SMILES notation for cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene?
The canonical SMILES for cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene is COC(C)(/N=N/C1CCCCC1)c1ccncc1.
What is the InChIKey of cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene?
The InChIKey is VUYQEMGACXZGAH-WUKNDPDISA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(18-2,12-8-10-15-11-9-12)17-16-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3/b17-16+.
What are the key properties of cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene?
cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene has a molecular weight of 247.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-methoxy-1-pyridin-4-ylethyl)diazene is sourced from PubChem (CID 21387201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).