4-(diethylamino)benzenediazonium;methane

C11H18N3+ — CID 66524102

IUPAC4-(diethylamino)benzenediazonium;methane
SMILESC.CCN(CC)c1ccc([N+]#N)cc1
InChIInChI=1S/C10H14N3.CH4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;/h5-8H,3-4H2,1-2H3;1H4/q+1;
InChIKeyKBIGRRBEEZXDRV-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.65
Rot. Bonds3

About 4-(diethylamino)benzenediazonium;methane

4-(diethylamino)benzenediazonium;methane (PubChem CID 66524102) has the molecular formula C11H18N3+ and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-(diethylamino)benzenediazonium;methane.

Molecular Properties

Compound Name4-(diethylamino)benzenediazonium;methane
PubChem CID66524102
Molecular FormulaC11H18N3+
Molecular Weight192.29 g/mol
Exact Mass192.15
IUPAC Name4-(diethylamino)benzenediazonium;methane
SMILESC.CCN(CC)c1ccc([N+]#N)cc1
InChIInChI=1S/C10H14N3.CH4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;/h5-8H,3-4H2,1-2H3;1H4/q+1;
InChIKeyKBIGRRBEEZXDRV-UHFFFAOYSA-N
XLogP3.65
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-(diethylamino)benzenediazonium ditetrafluoroborate
CID 88803254
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-(diethylamino)benzenethiol
CID 2758241
N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethyl-4-fluoroaniline
CID 592416
N,N-diethylaniline
CID 7061
4-tert-butyl-N,N-diethylaniline
CID 10632068
4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline
CID 21439568
CID 161146216
CID 161146216

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)benzenediazonium;methane?
The IUPAC name of 4-(diethylamino)benzenediazonium;methane (CID 66524102) is 4-(diethylamino)benzenediazonium;methane.
What is the SMILES notation for 4-(diethylamino)benzenediazonium;methane?
The canonical SMILES for 4-(diethylamino)benzenediazonium;methane is C.CCN(CC)c1ccc([N+]#N)cc1.
What is the InChIKey of 4-(diethylamino)benzenediazonium;methane?
The InChIKey is KBIGRRBEEZXDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3.CH4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;/h5-8H,3-4H2,1-2H3;1H4/q+1;.
What are the key properties of 4-(diethylamino)benzenediazonium;methane?
4-(diethylamino)benzenediazonium;methane has a molecular weight of 192.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)benzenediazonium;methane is sourced from PubChem (CID 66524102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).