N-benzyl-N-diazenylaniline

C13H13N3 — CID 135121758

IUPACN-benzyl-N-diazenylaniline
SMILES[H]/N=N/N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3/c14-15-16(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2/b15-14+
InChIKeyIUUKDEFWMDCNFQ-CCEZHUSRSA-N
MW211.27 g/mol
LogP3.64
Rot. Bonds4

About N-benzyl-N-diazenylaniline

N-benzyl-N-diazenylaniline (PubChem CID 135121758) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-benzyl-N-diazenylaniline.

Molecular Properties

Compound NameN-benzyl-N-diazenylaniline
PubChem CID135121758
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN-benzyl-N-diazenylaniline
SMILES[H]/N=N/N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3/c14-15-16(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2/b15-14+
InChIKeyIUUKDEFWMDCNFQ-CCEZHUSRSA-N
XLogP3.64
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-diazenylaniline?
The IUPAC name of N-benzyl-N-diazenylaniline (CID 135121758) is N-benzyl-N-diazenylaniline.
What is the SMILES notation for N-benzyl-N-diazenylaniline?
The canonical SMILES for N-benzyl-N-diazenylaniline is [H]/N=N/N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-diazenylaniline?
The InChIKey is IUUKDEFWMDCNFQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H13N3/c14-15-16(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2/b15-14+.
What are the key properties of N-benzyl-N-diazenylaniline?
N-benzyl-N-diazenylaniline has a molecular weight of 211.27 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-diazenylaniline is sourced from PubChem (CID 135121758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).