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

C17H31N5 — CID 19741925

IUPAC2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILESCC1(C)CC(N(/C(N)=N/C#N)C2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C17H31N5/c1-16(2)10-14(11-17(3,4)21-16)22(15(19)20-12-18)13-8-6-5-7-9-13/h13-14,21H,5-11H2,1-4H3,(H2,19,20)
InChIKeyGZMZVFNKXAWXQG-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.73
Rot. Bonds2

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

2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (PubChem CID 19741925) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
PubChem CID19741925
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILESCC1(C)CC(N(/C(N)=N/C#N)C2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C17H31N5/c1-16(2)10-14(11-17(3,4)21-16)22(15(19)20-12-18)13-8-6-5-7-9-13/h13-14,21H,5-11H2,1-4H3,(H2,19,20)
InChIKeyGZMZVFNKXAWXQG-UHFFFAOYSA-N
XLogP2.73
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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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
N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimidamide
CID 20074326
1,3-Dicyclohexyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)guanidine
CID 53640706
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-Cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57284883
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 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The IUPAC name of 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (CID 19741925) is 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is CC1(C)CC(N(/C(N)=N/C#N)C2CCCCC2)CC(C)(C)N1.
What is the InChIKey of 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The InChIKey is GZMZVFNKXAWXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-16(2)10-14(11-17(3,4)21-16)22(15(19)20-12-18)13-8-6-5-7-9-13/h13-14,21H,5-11H2,1-4H3,(H2,19,20).
What are the key properties of 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine has a molecular weight of 305.47 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is sourced from PubChem (CID 19741925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).