1,2-dibenzylguanidine;hydrobromide

C15H18BrN3 — CID 12549981

IUPAC1,2-dibenzylguanidine;hydrobromide
SMILESBr.N/C(=N\Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H17N3.BrH/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H3,16,17,18);1H
InChIKeyANPWHFWMANMCEZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.87
Rot. Bonds4

About 1,2-dibenzylguanidine;hydrobromide

1,2-dibenzylguanidine;hydrobromide (PubChem CID 12549981) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1,2-dibenzylguanidine;hydrobromide.

Molecular Properties

Compound Name1,2-dibenzylguanidine;hydrobromide
PubChem CID12549981
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1,2-dibenzylguanidine;hydrobromide
SMILESBr.N/C(=N\Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H17N3.BrH/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H3,16,17,18);1H
InChIKeyANPWHFWMANMCEZ-UHFFFAOYSA-N
XLogP2.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzylguanidine;hydrobromide?
The IUPAC name of 1,2-dibenzylguanidine;hydrobromide (CID 12549981) is 1,2-dibenzylguanidine;hydrobromide.
What is the SMILES notation for 1,2-dibenzylguanidine;hydrobromide?
The canonical SMILES for 1,2-dibenzylguanidine;hydrobromide is Br.N/C(=N\Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of 1,2-dibenzylguanidine;hydrobromide?
The InChIKey is ANPWHFWMANMCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3.BrH/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H3,16,17,18);1H.
What are the key properties of 1,2-dibenzylguanidine;hydrobromide?
1,2-dibenzylguanidine;hydrobromide has a molecular weight of 320.23 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzylguanidine;hydrobromide is sourced from PubChem (CID 12549981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).