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

C19H37N5 — CID 19741922

IUPAC2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine
SMILESCCCCCCCCN(/C(N)=N/C#N)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C19H37N5/c1-6-7-8-9-10-11-15-23(17(21)22-16-20)24-18(2,3)13-12-14-19(24,4)5/h6-15H2,1-5H3,(H2,21,22)
InChIKeyJFFNQWVAMLOCEY-UHFFFAOYSA-N
MW335.54 g/mol
LogP4.40
Rot. Bonds8

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

2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine (PubChem CID 19741922) has the molecular formula C19H37N5 and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine.

Molecular Properties

Compound Name2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine
PubChem CID19741922
Molecular FormulaC19H37N5
Molecular Weight335.54 g/mol
Exact Mass335.30
IUPAC Name2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine
SMILESCCCCCCCCN(/C(N)=N/C#N)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C19H37N5/c1-6-7-8-9-10-11-15-23(17(21)22-16-20)24-18(2,3)13-12-14-19(24,4)5/h6-15H2,1-5H3,(H2,21,22)
InChIKeyJFFNQWVAMLOCEY-UHFFFAOYSA-N
XLogP4.40
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
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-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine?
The IUPAC name of 2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine (CID 19741922) is 2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine.
What is the SMILES notation for 2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine?
The canonical SMILES for 2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine is CCCCCCCCN(/C(N)=N/C#N)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine?
The InChIKey is JFFNQWVAMLOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5/c1-6-7-8-9-10-11-15-23(17(21)22-16-20)24-18(2,3)13-12-14-19(24,4)5/h6-15H2,1-5H3,(H2,21,22).
What are the key properties of 2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine?
2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine has a molecular weight of 335.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine is sourced from PubChem (CID 19741922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).