benzylazanium

C7H10N+ — CID 4996382

IUPACbenzylazanium
SMILES[NH3+]Cc1ccccc1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/p+1
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-O
MW108.16 g/mol
LogP0.43
Rot. Bonds1

About benzylazanium

benzylazanium (PubChem CID 4996382) has the molecular formula C7H10N+ and a molecular weight of 108.16 g/mol. Its IUPAC name is benzylazanium.

Molecular Properties

Compound Namebenzylazanium
PubChem CID4996382
Molecular FormulaC7H10N+
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC Namebenzylazanium
SMILES[NH3+]Cc1ccccc1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/p+1
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-O
XLogP0.43
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze benzylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzylazanium?
The IUPAC name of benzylazanium (CID 4996382) is benzylazanium.
What is the SMILES notation for benzylazanium?
The canonical SMILES for benzylazanium is [NH3+]Cc1ccccc1.
What is the InChIKey of benzylazanium?
The InChIKey is WGQKYBSKWIADBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/p+1.
What are the key properties of benzylazanium?
benzylazanium has a molecular weight of 108.16 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylazanium is sourced from PubChem (CID 4996382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).