1-cyano-1-(2-methoxyethyl)guanidine

C5H10N4O — CID 20552225

IUPAC1-cyano-1-(2-methoxyethyl)guanidine
SMILES[H]/N=C(\N)N(C#N)CCOC
InChIInChI=1S/C5H10N4O/c1-10-3-2-9(4-6)5(7)8/h2-3H2,1H3,(H3,7,8)
InChIKeyFVRPFKJHWFKZRA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.69
Rot. Bonds3

About 1-cyano-1-(2-methoxyethyl)guanidine

1-cyano-1-(2-methoxyethyl)guanidine (PubChem CID 20552225) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-cyano-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-cyano-1-(2-methoxyethyl)guanidine
PubChem CID20552225
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name1-cyano-1-(2-methoxyethyl)guanidine
SMILES[H]/N=C(\N)N(C#N)CCOC
InChIInChI=1S/C5H10N4O/c1-10-3-2-9(4-6)5(7)8/h2-3H2,1H3,(H3,7,8)
InChIKeyFVRPFKJHWFKZRA-UHFFFAOYSA-N
XLogP-0.69
TPSA86.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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-cyano-1-(2-methoxyethyl)guanidine?
The IUPAC name of 1-cyano-1-(2-methoxyethyl)guanidine (CID 20552225) is 1-cyano-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-cyano-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-cyano-1-(2-methoxyethyl)guanidine is [H]/N=C(\N)N(C#N)CCOC.
What is the InChIKey of 1-cyano-1-(2-methoxyethyl)guanidine?
The InChIKey is FVRPFKJHWFKZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-10-3-2-9(4-6)5(7)8/h2-3H2,1H3,(H3,7,8).
What are the key properties of 1-cyano-1-(2-methoxyethyl)guanidine?
1-cyano-1-(2-methoxyethyl)guanidine has a molecular weight of 142.16 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 20552225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).