1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine

C10H18N4O2 — CID 116511034

IUPAC1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine
SMILESCOCCN/C(=N\Cc1ccc(C)o1)NN
InChIInChI=1S/C10H18N4O2/c1-8-3-4-9(16-8)7-13-10(14-11)12-5-6-15-2/h3-4H,5-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyZIERXJPTVPDQBT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.14
Rot. Bonds5

About 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine

1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine (PubChem CID 116511034) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine
PubChem CID116511034
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine
SMILESCOCCN/C(=N\Cc1ccc(C)o1)NN
InChIInChI=1S/C10H18N4O2/c1-8-3-4-9(16-8)7-13-10(14-11)12-5-6-15-2/h3-4H,5-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyZIERXJPTVPDQBT-UHFFFAOYSA-N
XLogP0.14
TPSA84.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(5-methylfuran-2-yl)methyl]-3-propylguanidine
CID 116511027
1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
CID 116511560
1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine
CID 114181159
1-amino-2-[(4,5-dimethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)guanidine
CID 104886536
1-amino-2-[(3-chlorophenyl)methyl]-3-(2-methoxyethyl)guanidine
CID 116511044
1-amino-2-[(3-chloro-4-fluorophenyl)methyl]-3-(2-methoxyethyl)guanidine
CID 116511070
1-amino-2-[(3-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)guanidine
CID 116516030
1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 116511985
1-amino-3-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]guanidine
CID 116515322
1-amino-3-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 104885178
1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 114181155
1-amino-2-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)guanidine
CID 116511203

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine (CID 116511034) is 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine is COCCN/C(=N\Cc1ccc(C)o1)NN.
What is the InChIKey of 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine?
The InChIKey is ZIERXJPTVPDQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8-3-4-9(16-8)7-13-10(14-11)12-5-6-15-2/h3-4H,5-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine?
1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine has a molecular weight of 226.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine is sourced from PubChem (CID 116511034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).