1-amino-2-benzyl-3-(2-methoxyethyl)guanidine

C11H18N4O — CID 116511560

IUPAC1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\Cc1ccccc1)NN
InChIInChI=1S/C11H18N4O/c1-16-8-7-13-11(15-12)14-9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3,(H2,13,14,15)
InChIKeyRQQKIFUVWPZKTB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.24
Rot. Bonds5

About 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine

1-amino-2-benzyl-3-(2-methoxyethyl)guanidine (PubChem CID 116511560) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
PubChem CID116511560
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\Cc1ccccc1)NN
InChIInChI=1S/C11H18N4O/c1-16-8-7-13-11(15-12)14-9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3,(H2,13,14,15)
InChIKeyRQQKIFUVWPZKTB-UHFFFAOYSA-N
XLogP0.24
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[(3-chlorophenyl)methyl]-3-(2-methoxyethyl)guanidine
CID 116511044
1-amino-3-(2-methoxyethyl)-2-(3-phenylpropyl)guanidine
CID 116513509
1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 116511985
1-amino-2-[(3-chloro-4-fluorophenyl)methyl]-3-(2-methoxyethyl)guanidine
CID 116511070
1-amino-3-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 104885178
1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 116511034
1-amino-2-(3-methoxypropyl)-3-(2-phenoxyethyl)guanidine
CID 116513779
1-amino-3-(3-methoxypropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 116511827
1-amino-2-[(3-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)guanidine
CID 116516030
1-ethyl-3-(2-methoxyethyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110939469
2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine
CID 110954950
1-ethyl-3-(2-methoxyethyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110939465

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine (CID 116511560) is 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine is COCCN/C(=N\Cc1ccccc1)NN.
What is the InChIKey of 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine?
The InChIKey is RQQKIFUVWPZKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-8-7-13-11(15-12)14-9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine?
1-amino-2-benzyl-3-(2-methoxyethyl)guanidine has a molecular weight of 222.29 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-benzyl-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 116511560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).