1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine

C11H21N5 — CID 54122136

IUPAC1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILES[H]/N=C(\N)N(C#N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H21N5/c1-10(2)5-8(6-11(3,4)15-10)16(7-12)9(13)14/h8,15H,5-6H2,1-4H3,(H3,13,14)
InChIKeyNOLIIDTVBUIJNV-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.97
Rot. Bonds1

About 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine

1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (PubChem CID 54122136) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
PubChem CID54122136
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILES[H]/N=C(\N)N(C#N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H21N5/c1-10(2)5-8(6-11(3,4)15-10)16(7-12)9(13)14/h8,15H,5-6H2,1-4H3,(H3,13,14)
InChIKeyNOLIIDTVBUIJNV-UHFFFAOYSA-N
XLogP0.97
TPSA88.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
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-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The IUPAC name of 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (CID 54122136) is 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is [H]/N=C(\N)N(C#N)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The InChIKey is NOLIIDTVBUIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-10(2)5-8(6-11(3,4)15-10)16(7-12)9(13)14/h8,15H,5-6H2,1-4H3,(H3,13,14).
What are the key properties of 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine has a molecular weight of 223.32 g/mol, XLogP of 0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is sourced from PubChem (CID 54122136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).