4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline

C18H19N3 — CID 13007572

IUPAC4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-3-14-21(15-4-2)18-12-10-17(11-13-18)20-19-16-8-6-5-7-9-16/h3-13H,1-2,14-15H2/b20-19+
InChIKeyMZQCKOVZWODLOY-FMQUCBEESA-N
MW277.37 g/mol
LogP5.28
Rot. Bonds7

About 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline

4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline (PubChem CID 13007572) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
PubChem CID13007572
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-3-14-21(15-4-2)18-12-10-17(11-13-18)20-19-16-8-6-5-7-9-16/h3-13H,1-2,14-15H2/b20-19+
InChIKeyMZQCKOVZWODLOY-FMQUCBEESA-N
XLogP5.28
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.28
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline (CID 13007572) is 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline?
The InChIKey is MZQCKOVZWODLOY-FMQUCBEESA-N. The full InChI is InChI=1S/C18H19N3/c1-3-14-21(15-4-2)18-12-10-17(11-13-18)20-19-16-8-6-5-7-9-16/h3-13H,1-2,14-15H2/b20-19+.
What are the key properties of 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline?
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline has a molecular weight of 277.37 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 13007572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).