dibenzylazanium iodide

C14H16IN — CID 15533239

IUPACdibenzylazanium iodide
SMILES[I-].c1ccc(C[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C14H15N.HI/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
InChIKeyXCKSUTIMJQZUHJ-UHFFFAOYSA-N
MW325.19 g/mol
LogP-1.05
Rot. Bonds4

About dibenzylazanium iodide

dibenzylazanium iodide (PubChem CID 15533239) has the molecular formula C14H16IN and a molecular weight of 325.19 g/mol. Its IUPAC name is dibenzylazanium iodide.

Molecular Properties

Compound Namedibenzylazanium iodide
PubChem CID15533239
Molecular FormulaC14H16IN
Molecular Weight325.19 g/mol
Exact Mass325.03
IUPAC Namedibenzylazanium iodide
SMILES[I-].c1ccc(C[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C14H15N.HI/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
InChIKeyXCKSUTIMJQZUHJ-UHFFFAOYSA-N
XLogP-1.05
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[(4-ethylphenyl)methyl]azanium
CID 7994180
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215
dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane
CID 18529115
benzyl(butyl)azanium fluoride
CID 161148971
benzyl-[2-(benzylamino)ethyl]azanium
CID 3553946
benzyl(phenyl)azanium bromide
CID 173449870
2-(benzylazaniumyl)ethyl-diethylazanium
CID 6993599
benzyl(3-methylbut-2-enyl)azanium bromide
CID 88642213
benzyl(pent-2-enyl)azanium hydroxide
CID 139905470
benzyl(hepta-1,6-dien-4-yl)azanium iodide
CID 87531255
benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
CID 8622876
benzyl(18-methylnonadecyl)azanium chloride
CID 57375629

Frequently Asked Questions

What is the IUPAC name of dibenzylazanium iodide?
The IUPAC name of dibenzylazanium iodide (CID 15533239) is dibenzylazanium iodide.
What is the SMILES notation for dibenzylazanium iodide?
The canonical SMILES for dibenzylazanium iodide is [I-].c1ccc(C[NH2+]Cc2ccccc2)cc1.
What is the InChIKey of dibenzylazanium iodide?
The InChIKey is XCKSUTIMJQZUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.HI/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H.
What are the key properties of dibenzylazanium iodide?
dibenzylazanium iodide has a molecular weight of 325.19 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzylazanium iodide is sourced from PubChem (CID 15533239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).