N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine

C8H11N5 — CID 171920480

IUPACN-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine
SMILESCN(C)/N=N/N=N/c1ccccc1
InChIInChI=1S/C8H11N5/c1-13(2)12-11-10-9-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+,12-11+
InChIKeyWUBDXNNWTAHBNH-HULFFUFUSA-N
MW177.21 g/mol
LogP2.61
Rot. Bonds3

About N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine

N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine (PubChem CID 171920480) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine
PubChem CID171920480
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine
SMILESCN(C)/N=N/N=N/c1ccccc1
InChIInChI=1S/C8H11N5/c1-13(2)12-11-10-9-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+,12-11+
InChIKeyWUBDXNNWTAHBNH-HULFFUFUSA-N
XLogP2.61
TPSA52.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
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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Related Compounds

N,N-Dimethylaniline
CID 949
C.I. Solvent Yellow 2
CID 6053
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
Trimethylphenylammonium iodide
CID 94135
Azobenzene
CID 2272
Sulfamide, N,N-dimethyl-N'-phenyl-
CID 78441
Phenyltrimethylammonium chloride
CID 67309
Trimethylphenylammonium hydroxide
CID 15913
Phenyltrimethylammonium bromide
CID 27663
4,4'-Diazenediyldianiline
CID 10855
3,3-Dimethyl-1-(4-methylphenyl)-1-triazene
CID 81618

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine?
The IUPAC name of N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine (CID 171920480) is N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine?
The canonical SMILES for N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine is CN(C)/N=N/N=N/c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine?
The InChIKey is WUBDXNNWTAHBNH-HULFFUFUSA-N. The full InChI is InChI=1S/C8H11N5/c1-13(2)12-11-10-9-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+,12-11+.
What are the key properties of N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine?
N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine has a molecular weight of 177.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-phenyldiazenyldiazenyl]methanamine is sourced from PubChem (CID 171920480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).