azanylidyneazanium;N,N-dimethylaniline;chloride

C8H12ClN3 — CID 23457952

IUPACazanylidyneazanium;N,N-dimethylaniline;chloride
SMILESCN(C)c1ccccc1.N#[NH+].[Cl-]
InChIInChI=1S/C8H11N.ClH.N2/c1-9(2)8-6-4-3-5-7-8;;1-2/h3-7H,1-2H3;1H;
InChIKeyFKCNPJNRHCUFTE-UHFFFAOYSA-N
MW185.66 g/mol
LogP-2.96
Rot. Bonds1

About azanylidyneazanium;N,N-dimethylaniline;chloride

azanylidyneazanium;N,N-dimethylaniline;chloride (PubChem CID 23457952) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is azanylidyneazanium;N,N-dimethylaniline;chloride.

Molecular Properties

Compound Nameazanylidyneazanium;N,N-dimethylaniline;chloride
PubChem CID23457952
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Nameazanylidyneazanium;N,N-dimethylaniline;chloride
SMILESCN(C)c1ccccc1.N#[NH+].[Cl-]
InChIInChI=1S/C8H11N.ClH.N2/c1-9(2)8-6-4-3-5-7-8;;1-2/h3-7H,1-2H3;1H;
InChIKeyFKCNPJNRHCUFTE-UHFFFAOYSA-N
XLogP-2.96
TPSA50.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 5-2.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylaniline
CID 70392672
CID 69241188
CID 69241188
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;methanol
CID 143205399
carbon monoxide;N,N-dimethylaniline;tungsten
CID 134981716
N,N-dimethylaniline;N,N-diphenylaniline
CID 159990775
acetaldehyde;N,N-dimethylaniline
CID 158535205
bis(N,N-dimethylaniline);bis(N,N-dimethylmethanamine);ethane;toluene
CID 159937549

Frequently Asked Questions

What is the IUPAC name of azanylidyneazanium;N,N-dimethylaniline;chloride?
The IUPAC name of azanylidyneazanium;N,N-dimethylaniline;chloride (CID 23457952) is azanylidyneazanium;N,N-dimethylaniline;chloride.
What is the SMILES notation for azanylidyneazanium;N,N-dimethylaniline;chloride?
The canonical SMILES for azanylidyneazanium;N,N-dimethylaniline;chloride is CN(C)c1ccccc1.N#[NH+].[Cl-].
What is the InChIKey of azanylidyneazanium;N,N-dimethylaniline;chloride?
The InChIKey is FKCNPJNRHCUFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH.N2/c1-9(2)8-6-4-3-5-7-8;;1-2/h3-7H,1-2H3;1H;.
What are the key properties of azanylidyneazanium;N,N-dimethylaniline;chloride?
azanylidyneazanium;N,N-dimethylaniline;chloride has a molecular weight of 185.66 g/mol, XLogP of -2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneazanium;N,N-dimethylaniline;chloride is sourced from PubChem (CID 23457952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).