4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline

C14H17N3 — CID 22711733

IUPAC4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/C2=CCCC=C2)cc1
InChIInChI=1S/C14H17N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h4,6-11H,3,5H2,1-2H3/b16-15+
InChIKeyMMOCIPWTBPBCTO-FOCLMDBBSA-N
MW227.31 g/mol
LogP4.07
Rot. Bonds3

About 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline

4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline (PubChem CID 22711733) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline
PubChem CID22711733
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/C2=CCCC=C2)cc1
InChIInChI=1S/C14H17N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h4,6-11H,3,5H2,1-2H3/b16-15+
InChIKeyMMOCIPWTBPBCTO-FOCLMDBBSA-N
XLogP4.07
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline (CID 22711733) is 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline is CN(C)c1ccc(/N=N/C2=CCCC=C2)cc1.
What is the InChIKey of 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline?
The InChIKey is MMOCIPWTBPBCTO-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h4,6-11H,3,5H2,1-2H3/b16-15+.
What are the key properties of 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline?
4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline has a molecular weight of 227.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline is sourced from PubChem (CID 22711733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).