N-methyl-N-phenyldiazenylmethanamine

C8H11N3 — CID 23654

IUPACN-methyl-N-phenyldiazenylmethanamine
SMILESCN(C)/N=N/c1ccccc1
InChIInChI=1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+
InChIKeyLLROQAGEAVDYFP-MDZDMXLPSA-N
MW149.20 g/mol
LogP2.25
Rot. Bonds2

About N-methyl-N-phenyldiazenylmethanamine

N-methyl-N-phenyldiazenylmethanamine (PubChem CID 23654) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-methyl-N-phenyldiazenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-phenyldiazenylmethanamine
PubChem CID23654
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-methyl-N-phenyldiazenylmethanamine
SMILESCN(C)/N=N/c1ccccc1
InChIInChI=1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+
InChIKeyLLROQAGEAVDYFP-MDZDMXLPSA-N
XLogP2.25
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.25
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-Methyl-N-nitrosoaniline
CID 11957
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
3,3-Dimethyl-1-(4-methylphenyl)-1-triazene
CID 81618

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyldiazenylmethanamine?
The IUPAC name of N-methyl-N-phenyldiazenylmethanamine (CID 23654) is N-methyl-N-phenyldiazenylmethanamine.
What is the SMILES notation for N-methyl-N-phenyldiazenylmethanamine?
The canonical SMILES for N-methyl-N-phenyldiazenylmethanamine is CN(C)/N=N/c1ccccc1.
What is the InChIKey of N-methyl-N-phenyldiazenylmethanamine?
The InChIKey is LLROQAGEAVDYFP-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+.
What are the key properties of N-methyl-N-phenyldiazenylmethanamine?
N-methyl-N-phenyldiazenylmethanamine has a molecular weight of 149.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyldiazenylmethanamine is sourced from PubChem (CID 23654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).