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

C19H37N5 — CID 57284883

IUPAC1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILESCCCCCCCC/N=C(\N)N(C#N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H37N5/c1-6-7-8-9-10-11-12-22-17(21)24(15-20)16-13-18(2,3)23-19(4,5)14-16/h16,23H,6-14H2,1-5H3,(H2,21,22)
InChIKeyVBSHBOAGGMXFRP-UHFFFAOYSA-N
MW335.54 g/mol
LogP3.75
Rot. Bonds8

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

1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (PubChem CID 57284883) has the molecular formula C19H37N5 and a molecular weight of 335.54 g/mol. Its IUPAC name is 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
PubChem CID57284883
Molecular FormulaC19H37N5
Molecular Weight335.54 g/mol
Exact Mass335.30
IUPAC Name1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILESCCCCCCCC/N=C(\N)N(C#N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H37N5/c1-6-7-8-9-10-11-12-22-17(21)24(15-20)16-13-18(2,3)23-19(4,5)14-16/h16,23H,6-14H2,1-5H3,(H2,21,22)
InChIKeyVBSHBOAGGMXFRP-UHFFFAOYSA-N
XLogP3.75
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 53.75
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': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Hexahydro-2-imino-5-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-1-carbonitrile
CID 547468
2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine
CID 18551436
2-Cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 19741920
2-Cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)guanidine
CID 19741922
2-Cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 19741925
N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimidamide
CID 20074326
2-Cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 53875648
1-Cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 54122136
1,2-Dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)guanidine
CID 54202329
1-Cyano-2-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57205310
1-Cyano-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57221585
1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine
CID 67651059

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The IUPAC name of 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (CID 57284883) is 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is CCCCCCCC/N=C(\N)N(C#N)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The InChIKey is VBSHBOAGGMXFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5/c1-6-7-8-9-10-11-12-22-17(21)24(15-20)16-13-18(2,3)23-19(4,5)14-16/h16,23H,6-14H2,1-5H3,(H2,21,22).
What are the key properties of 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine has a molecular weight of 335.54 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is sourced from PubChem (CID 57284883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).