1,1-dibenzylguanidine;hydrochloride

C15H18ClN3 — CID 9486

IUPAC1,1-dibenzylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17N3.ClH/c16-15(17)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H3,16,17);1H
InChIKeyAFFSNPJQFHVPSX-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.00
Rot. Bonds4

About 1,1-dibenzylguanidine;hydrochloride

1,1-dibenzylguanidine;hydrochloride (PubChem CID 9486) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1,1-dibenzylguanidine;hydrochloride.

Molecular Properties

Compound Name1,1-dibenzylguanidine;hydrochloride
PubChem CID9486
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1,1-dibenzylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17N3.ClH/c16-15(17)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H3,16,17);1H
InChIKeyAFFSNPJQFHVPSX-UHFFFAOYSA-N
XLogP3.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.00
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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Related Compounds

Debrisoquine
CID 2966
Dibenzylcyanamide
CID 222027
4-(Phenylmethyl)-1-piperazinecarboximidamide
CID 160903
Dibenzyldimethylammonium chloride
CID 101569
1-Benzylpyridin-2(1H)-imine--hydrogen chloride (1/1)
CID 16195936
1-Phenyl-1-(piperidin-1-yl)methanimine--hydrogen chloride (1/1)
CID 361542
Benzenemethanamine, N-(phenylmethyl)-, hydrochloride (1:1)
CID 13000629
1,2-Dibenzylguanidine
CID 33142
Guanidine, 1-benzyl-1-phenyl-, hydrochloride
CID 9459
Dibenzylammonium chloride
CID 30163
1,2-Dibenzylguanidine;hydrobromide
CID 12549981
2-benzyl-1-[3-[7-[3-[(N'-benzylcarbamimidoyl)amino]propylamino]heptylamino]propyl]guanidine
CID 15605637

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzylguanidine;hydrochloride?
The IUPAC name of 1,1-dibenzylguanidine;hydrochloride (CID 9486) is 1,1-dibenzylguanidine;hydrochloride.
What is the SMILES notation for 1,1-dibenzylguanidine;hydrochloride?
The canonical SMILES for 1,1-dibenzylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzylguanidine;hydrochloride?
The InChIKey is AFFSNPJQFHVPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3.ClH/c16-15(17)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H3,16,17);1H.
What are the key properties of 1,1-dibenzylguanidine;hydrochloride?
1,1-dibenzylguanidine;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzylguanidine;hydrochloride is sourced from PubChem (CID 9486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).