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

C17H33N5 — CID 19741920

IUPAC2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILESCCCCCCN(/C(N)=N/C#N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H33N5/c1-6-7-8-9-10-22(15(19)20-13-18)14-11-16(2,3)21-17(4,5)12-14/h14,21H,6-12H2,1-5H3,(H2,19,20)
InChIKeyPTEYGFMDWMGEJG-UHFFFAOYSA-N
MW307.49 g/mol
LogP2.97
Rot. Bonds6

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

2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (PubChem CID 19741920) has the molecular formula C17H33N5 and a molecular weight of 307.49 g/mol. Its IUPAC name is 2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
PubChem CID19741920
Molecular FormulaC17H33N5
Molecular Weight307.49 g/mol
Exact Mass307.27
IUPAC Name2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILESCCCCCCN(/C(N)=N/C#N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H33N5/c1-6-7-8-9-10-22(15(19)20-13-18)14-11-16(2,3)21-17(4,5)12-14/h14,21H,6-12H2,1-5H3,(H2,19,20)
InChIKeyPTEYGFMDWMGEJG-UHFFFAOYSA-N
XLogP2.97
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The IUPAC name of 2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (CID 19741920) is 2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is CCCCCCN(/C(N)=N/C#N)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The InChIKey is PTEYGFMDWMGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5/c1-6-7-8-9-10-22(15(19)20-13-18)14-11-16(2,3)21-17(4,5)12-14/h14,21H,6-12H2,1-5H3,(H2,19,20).
What are the key properties of 2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine has a molecular weight of 307.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is sourced from PubChem (CID 19741920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).