2-cyano-1-cyclopropyl-1-propylguanidine

C8H14N4 — CID 141229417

IUPAC2-cyano-1-cyclopropyl-1-propylguanidine
SMILESCCCN(/C(N)=N/C#N)C1CC1
InChIInChI=1S/C8H14N4/c1-2-5-12(7-3-4-7)8(10)11-6-9/h7H,2-5H2,1H3,(H2,10,11)
InChIKeyLALYVMZNJSZXAA-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.66
Rot. Bonds3

About 2-cyano-1-cyclopropyl-1-propylguanidine

2-cyano-1-cyclopropyl-1-propylguanidine (PubChem CID 141229417) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-cyano-1-cyclopropyl-1-propylguanidine.

Molecular Properties

Compound Name2-cyano-1-cyclopropyl-1-propylguanidine
PubChem CID141229417
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-cyano-1-cyclopropyl-1-propylguanidine
SMILESCCCN(/C(N)=N/C#N)C1CC1
InChIInChI=1S/C8H14N4/c1-2-5-12(7-3-4-7)8(10)11-6-9/h7H,2-5H2,1H3,(H2,10,11)
InChIKeyLALYVMZNJSZXAA-UHFFFAOYSA-N
XLogP0.66
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 2-cyano-1-cyclopropyl-1-propylguanidine?
The IUPAC name of 2-cyano-1-cyclopropyl-1-propylguanidine (CID 141229417) is 2-cyano-1-cyclopropyl-1-propylguanidine.
What is the SMILES notation for 2-cyano-1-cyclopropyl-1-propylguanidine?
The canonical SMILES for 2-cyano-1-cyclopropyl-1-propylguanidine is CCCN(/C(N)=N/C#N)C1CC1.
What is the InChIKey of 2-cyano-1-cyclopropyl-1-propylguanidine?
The InChIKey is LALYVMZNJSZXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-5-12(7-3-4-7)8(10)11-6-9/h7H,2-5H2,1H3,(H2,10,11).
What are the key properties of 2-cyano-1-cyclopropyl-1-propylguanidine?
2-cyano-1-cyclopropyl-1-propylguanidine has a molecular weight of 166.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-cyclopropyl-1-propylguanidine is sourced from PubChem (CID 141229417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).