2-(diethylamino)benzenediazonium

C10H14N3+ — CID 21446526

IUPAC2-(diethylamino)benzenediazonium
SMILESCCN(CC)c1ccccc1[N+]#N
InChIInChI=1S/C10H14N3/c1-3-13(4-2)10-8-6-5-7-9(10)12-11/h5-8H,3-4H2,1-2H3/q+1
InChIKeyGSFZNCVHASUZJP-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.02
Rot. Bonds3

About 2-(diethylamino)benzenediazonium

2-(diethylamino)benzenediazonium (PubChem CID 21446526) has the molecular formula C10H14N3+ and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-(diethylamino)benzenediazonium.

Molecular Properties

Compound Name2-(diethylamino)benzenediazonium
PubChem CID21446526
Molecular FormulaC10H14N3+
Molecular Weight176.24 g/mol
Exact Mass176.12
IUPAC Name2-(diethylamino)benzenediazonium
SMILESCCN(CC)c1ccccc1[N+]#N
InChIInChI=1S/C10H14N3/c1-3-13(4-2)10-8-6-5-7-9(10)12-11/h5-8H,3-4H2,1-2H3/q+1
InChIKeyGSFZNCVHASUZJP-UHFFFAOYSA-N
XLogP3.02
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc;2-(diethylamino)benzenediazonium;trichloride
CID 21446527
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
2-(dimethylamino)benzenediazonium tetrafluoroborate
CID 88706755
benzene-1,2-didiazonium
CID 22568635
2-(dichloroamino)benzenediazonium tetrafluoroborate
CID 21219859
1-N,1-N,8-N,8-N-tetraethylnaphthalene-1,8-diamine
CID 12673049
N,N-diethyl-2-triphenylstannylaniline
CID 159469705
2-(diethylamino)phenol;phenol
CID 174799209
2-amino-1-[2-(diethylamino)phenyl]ethanone
CID 83820084
2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
3-N,3-N-diethylpyridine-2,3-diamine
CID 54572211

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)benzenediazonium?
The IUPAC name of 2-(diethylamino)benzenediazonium (CID 21446526) is 2-(diethylamino)benzenediazonium.
What is the SMILES notation for 2-(diethylamino)benzenediazonium?
The canonical SMILES for 2-(diethylamino)benzenediazonium is CCN(CC)c1ccccc1[N+]#N.
What is the InChIKey of 2-(diethylamino)benzenediazonium?
The InChIKey is GSFZNCVHASUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3/c1-3-13(4-2)10-8-6-5-7-9(10)12-11/h5-8H,3-4H2,1-2H3/q+1.
What are the key properties of 2-(diethylamino)benzenediazonium?
2-(diethylamino)benzenediazonium has a molecular weight of 176.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)benzenediazonium is sourced from PubChem (CID 21446526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).