2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine

C11H17N5 — CID 53307575

IUPAC2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C11H17N5/c1-16(2)11(13)15-10(12)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H4,12,13,14,15)
InChIKeySTOXOLFRDHDGSD-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.38
Rot. Bonds2

About 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine

2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine (PubChem CID 53307575) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine
PubChem CID53307575
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C11H17N5/c1-16(2)11(13)15-10(12)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H4,12,13,14,15)
InChIKeySTOXOLFRDHDGSD-UHFFFAOYSA-N
XLogP0.38
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.38
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 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine (CID 53307575) is 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine is CN(C)/C(N)=N/C(N)=N/Cc1ccccc1.
What is the InChIKey of 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine?
The InChIKey is STOXOLFRDHDGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-16(2)11(13)15-10(12)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H4,12,13,14,15).
What are the key properties of 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine?
2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine has a molecular weight of 219.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-benzylcarbamimidoyl)-1,1-dimethylguanidine is sourced from PubChem (CID 53307575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).