sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine

C12H28N4O4S — CID 57347149

IUPACsulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine
SMILESCC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C12H26N4.H2O4S/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4)
InChIKeyWCVARWFFHJPDPT-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.65
Rot. Bonds3

About sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine

sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine (PubChem CID 57347149) has the molecular formula C12H28N4O4S and a molecular weight of 324.45 g/mol. Its IUPAC name is sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Namesulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine
PubChem CID57347149
Molecular FormulaC12H28N4O4S
Molecular Weight324.45 g/mol
Exact Mass324.18
IUPAC Namesulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine
SMILESCC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C12H26N4.H2O4S/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4)
InChIKeyWCVARWFFHJPDPT-UHFFFAOYSA-N
XLogP0.65
TPSA142.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,2,6,6-Tetramethylpiperidin-1-yl)ethyl]guanidine
CID 13467
(2-(2,6-Dimethylpiperidino)ethyl)guanidine hydrogen sulfate
CID 23617368
Sulfuric acid--N-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (1/1)
CID 57348317
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]guanidine;sulfuric acid
CID 133082510
2-[2-(2,2,6,6-Tetramethylpiperidin-1-yl)ethyl]guanidine sulfate
CID 20975637
2-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]guanidine sulfate
CID 20976384
Bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate
CID 23617301
2-[2-(4-Methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid;hydrate
CID 23619144
Sulfuric acid-N-[2-(4-methylpiperidin-1-yl)ethyl]guanidine (1/1)
CID 138397942

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine (CID 57347149) is sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine is CC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is WCVARWFFHJPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4.H2O4S/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4).
What are the key properties of sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine?
sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 324.45 g/mol, XLogP of 0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 57347149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).