1-phenyldodecane-1-diazonium

C18H29N2+ — CID 118059885

IUPAC1-phenyldodecane-1-diazonium
SMILESCCCCCCCCCCCC([N+]#N)c1ccccc1
InChIInChI=1S/C18H29N2/c1-2-3-4-5-6-7-8-9-13-16-18(20-19)17-14-11-10-12-15-17/h10-12,14-15,18H,2-9,13,16H2,1H3/q+1
InChIKeyOGVKEFRMBLAIAS-UHFFFAOYSA-N
MW273.44 g/mol
LogP6.50
Rot. Bonds11

About 1-phenyldodecane-1-diazonium

1-phenyldodecane-1-diazonium (PubChem CID 118059885) has the molecular formula C18H29N2+ and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-phenyldodecane-1-diazonium.

Molecular Properties

Compound Name1-phenyldodecane-1-diazonium
PubChem CID118059885
Molecular FormulaC18H29N2+
Molecular Weight273.44 g/mol
Exact Mass273.23
IUPAC Name1-phenyldodecane-1-diazonium
SMILESCCCCCCCCCCCC([N+]#N)c1ccccc1
InChIInChI=1S/C18H29N2/c1-2-3-4-5-6-7-8-9-13-16-18(20-19)17-14-11-10-12-15-17/h10-12,14-15,18H,2-9,13,16H2,1H3/q+1
InChIKeyOGVKEFRMBLAIAS-UHFFFAOYSA-N
XLogP6.50
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-phenyldodecane-1-diazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isocyanopentylbenzene
CID 172755000
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(1R)-1-phenyloctan-1-ol
CID 12794259
1-phenyldecan-1-amine
CID 43175860
1-phenylheptylphosphane
CID 174874892
1,1-diphenyltetradecan-3-ol
CID 102298194
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
triphenyl(1-phenylnonyl)phosphanium bromide
CID 90019945
1-decan-2-yloxyethylbenzene
CID 102455455
octan-3-ylbenzene
CID 519547

Frequently Asked Questions

What is the IUPAC name of 1-phenyldodecane-1-diazonium?
The IUPAC name of 1-phenyldodecane-1-diazonium (CID 118059885) is 1-phenyldodecane-1-diazonium.
What is the SMILES notation for 1-phenyldodecane-1-diazonium?
The canonical SMILES for 1-phenyldodecane-1-diazonium is CCCCCCCCCCCC([N+]#N)c1ccccc1.
What is the InChIKey of 1-phenyldodecane-1-diazonium?
The InChIKey is OGVKEFRMBLAIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N2/c1-2-3-4-5-6-7-8-9-13-16-18(20-19)17-14-11-10-12-15-17/h10-12,14-15,18H,2-9,13,16H2,1H3/q+1.
What are the key properties of 1-phenyldodecane-1-diazonium?
1-phenyldodecane-1-diazonium has a molecular weight of 273.44 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldodecane-1-diazonium is sourced from PubChem (CID 118059885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).