1-benzyl-1-ethyl-2,3-dimethylguanidine

C12H19N3 — CID 130785557

IUPAC1-benzyl-1-ethyl-2,3-dimethylguanidine
SMILESCCN(Cc1ccccc1)/C(=N/C)NC
InChIInChI=1S/C12H19N3/c1-4-15(12(13-2)14-3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,13,14)
InChIKeyKRPGOLGAMWHTGJ-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.71
Rot. Bonds3

About 1-benzyl-1-ethyl-2,3-dimethylguanidine

1-benzyl-1-ethyl-2,3-dimethylguanidine (PubChem CID 130785557) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-benzyl-1-ethyl-2,3-dimethylguanidine
PubChem CID130785557
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-benzyl-1-ethyl-2,3-dimethylguanidine
SMILESCCN(Cc1ccccc1)/C(=N/C)NC
InChIInChI=1S/C12H19N3/c1-4-15(12(13-2)14-3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,13,14)
InChIKeyKRPGOLGAMWHTGJ-UHFFFAOYSA-N
XLogP1.71
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
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-benzyl-1-ethyl-2,3-dimethylguanidine?
The IUPAC name of 1-benzyl-1-ethyl-2,3-dimethylguanidine (CID 130785557) is 1-benzyl-1-ethyl-2,3-dimethylguanidine.
What is the SMILES notation for 1-benzyl-1-ethyl-2,3-dimethylguanidine?
The canonical SMILES for 1-benzyl-1-ethyl-2,3-dimethylguanidine is CCN(Cc1ccccc1)/C(=N/C)NC.
What is the InChIKey of 1-benzyl-1-ethyl-2,3-dimethylguanidine?
The InChIKey is KRPGOLGAMWHTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-15(12(13-2)14-3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,13,14).
What are the key properties of 1-benzyl-1-ethyl-2,3-dimethylguanidine?
1-benzyl-1-ethyl-2,3-dimethylguanidine has a molecular weight of 205.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-2,3-dimethylguanidine is sourced from PubChem (CID 130785557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).