4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline

C15H18N4 — CID 3709314

IUPAC4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1/N=N/c1ccc(N)cc1
InChIInChI=1S/C15H18N4/c1-11-10-14(19(2)3)8-9-15(11)18-17-13-6-4-12(16)5-7-13/h4-10H,16H2,1-3H3/b18-17+
InChIKeyLSLZRFFCASZXTC-ISLYRVAYSA-N
MW254.34 g/mol
LogP4.06
Rot. Bonds3

About 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline

4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline (PubChem CID 3709314) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline
PubChem CID3709314
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1/N=N/c1ccc(N)cc1
InChIInChI=1S/C15H18N4/c1-11-10-14(19(2)3)8-9-15(11)18-17-13-6-4-12(16)5-7-13/h4-10H,16H2,1-3H3/b18-17+
InChIKeyLSLZRFFCASZXTC-ISLYRVAYSA-N
XLogP4.06
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline?
The IUPAC name of 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline (CID 3709314) is 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline.
What is the SMILES notation for 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline?
The canonical SMILES for 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline is Cc1cc(N(C)C)ccc1/N=N/c1ccc(N)cc1.
What is the InChIKey of 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline?
The InChIKey is LSLZRFFCASZXTC-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-10-14(19(2)3)8-9-15(11)18-17-13-6-4-12(16)5-7-13/h4-10H,16H2,1-3H3/b18-17+.
What are the key properties of 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline?
4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline has a molecular weight of 254.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)diazenyl]-N,N,3-trimethylaniline is sourced from PubChem (CID 3709314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).