1-cyano-2-cyclobutylguanidine

C6H10N4 — CID 21492949

IUPAC1-cyano-2-cyclobutylguanidine
SMILESN#CN/C(N)=N/C1CCC1
InChIInChI=1S/C6H10N4/c7-4-9-6(8)10-5-2-1-3-5/h5H,1-3H2,(H3,8,9,10)
InChIKeyBMCAOFAZVFQKPH-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.08
Rot. Bonds1

About 1-cyano-2-cyclobutylguanidine

1-cyano-2-cyclobutylguanidine (PubChem CID 21492949) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-cyano-2-cyclobutylguanidine.

Molecular Properties

Compound Name1-cyano-2-cyclobutylguanidine
PubChem CID21492949
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-cyano-2-cyclobutylguanidine
SMILESN#CN/C(N)=N/C1CCC1
InChIInChI=1S/C6H10N4/c7-4-9-6(8)10-5-2-1-3-5/h5H,1-3H2,(H3,8,9,10)
InChIKeyBMCAOFAZVFQKPH-UHFFFAOYSA-N
XLogP-0.08
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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-cyclobutylguanidine?
The IUPAC name of 1-cyano-2-cyclobutylguanidine (CID 21492949) is 1-cyano-2-cyclobutylguanidine.
What is the SMILES notation for 1-cyano-2-cyclobutylguanidine?
The canonical SMILES for 1-cyano-2-cyclobutylguanidine is N#CN/C(N)=N/C1CCC1.
What is the InChIKey of 1-cyano-2-cyclobutylguanidine?
The InChIKey is BMCAOFAZVFQKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-4-9-6(8)10-5-2-1-3-5/h5H,1-3H2,(H3,8,9,10).
What are the key properties of 1-cyano-2-cyclobutylguanidine?
1-cyano-2-cyclobutylguanidine has a molecular weight of 138.17 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-cyclobutylguanidine is sourced from PubChem (CID 21492949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).