1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine

C11H20N4 — CID 141040806

IUPAC1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine
SMILESC/N=C(\N(C)C)N(C#N)C1CCCCC1
InChIInChI=1S/C11H20N4/c1-13-11(14(2)3)15(9-12)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3/b13-11+
InChIKeyJFSIBVGCGWHZAX-ACCUITESSA-N
MW208.31 g/mol
LogP1.65
Rot. Bonds1

About 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine

1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine (PubChem CID 141040806) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine.

Molecular Properties

Compound Name1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine
PubChem CID141040806
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine
SMILESC/N=C(\N(C)C)N(C#N)C1CCCCC1
InChIInChI=1S/C11H20N4/c1-13-11(14(2)3)15(9-12)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3/b13-11+
InChIKeyJFSIBVGCGWHZAX-ACCUITESSA-N
XLogP1.65
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
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-1-cyclohexyl-2,3,3-trimethylguanidine?
The IUPAC name of 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine (CID 141040806) is 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine.
What is the SMILES notation for 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine?
The canonical SMILES for 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine is C/N=C(\N(C)C)N(C#N)C1CCCCC1.
What is the InChIKey of 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine?
The InChIKey is JFSIBVGCGWHZAX-ACCUITESSA-N. The full InChI is InChI=1S/C11H20N4/c1-13-11(14(2)3)15(9-12)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3/b13-11+.
What are the key properties of 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine?
1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine has a molecular weight of 208.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-cyclohexyl-2,3,3-trimethylguanidine is sourced from PubChem (CID 141040806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).