1-cyano-2-ethyl-1-methylguanidine

C5H10N4 — CID 22366705

IUPAC1-cyano-2-ethyl-1-methylguanidine
SMILESCC/N=C(\N)N(C)C#N
InChIInChI=1S/C5H10N4/c1-3-8-5(7)9(2)4-6/h3H2,1-2H3,(H2,7,8)
InChIKeyVPGHCAQPKCYTAZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.27
Rot. Bonds1

About 1-cyano-2-ethyl-1-methylguanidine

1-cyano-2-ethyl-1-methylguanidine (PubChem CID 22366705) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-cyano-2-ethyl-1-methylguanidine.

Molecular Properties

Compound Name1-cyano-2-ethyl-1-methylguanidine
PubChem CID22366705
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-cyano-2-ethyl-1-methylguanidine
SMILESCC/N=C(\N)N(C)C#N
InChIInChI=1S/C5H10N4/c1-3-8-5(7)9(2)4-6/h3H2,1-2H3,(H2,7,8)
InChIKeyVPGHCAQPKCYTAZ-UHFFFAOYSA-N
XLogP-0.27
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-ethyl-1-methylguanidine?
The IUPAC name of 1-cyano-2-ethyl-1-methylguanidine (CID 22366705) is 1-cyano-2-ethyl-1-methylguanidine.
What is the SMILES notation for 1-cyano-2-ethyl-1-methylguanidine?
The canonical SMILES for 1-cyano-2-ethyl-1-methylguanidine is CC/N=C(\N)N(C)C#N.
What is the InChIKey of 1-cyano-2-ethyl-1-methylguanidine?
The InChIKey is VPGHCAQPKCYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-3-8-5(7)9(2)4-6/h3H2,1-2H3,(H2,7,8).
What are the key properties of 1-cyano-2-ethyl-1-methylguanidine?
1-cyano-2-ethyl-1-methylguanidine has a molecular weight of 126.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-ethyl-1-methylguanidine is sourced from PubChem (CID 22366705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).