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

C10H24N4O4S — CID 23617368

IUPAC2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid
SMILESCC1CCCC(C)N1CCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C10H22N4.H2O4S/c1-8-4-3-5-9(2)14(8)7-6-13-10(11)12;1-5(2,3)4/h8-9H,3-7H2,1-2H3,(H4,11,12,13);(H2,1,2,3,4)
InChIKeyOKGWDEKFXLLQOI-UHFFFAOYSA-N
MW296.39 g/mol
LogP-0.13
Rot. Bonds3

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

2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid (PubChem CID 23617368) has the molecular formula C10H24N4O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid.

Molecular Properties

Compound Name2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid
PubChem CID23617368
Molecular FormulaC10H24N4O4S
Molecular Weight296.39 g/mol
Exact Mass296.15
IUPAC Name2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid
SMILESCC1CCCC(C)N1CCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C10H22N4.H2O4S/c1-8-4-3-5-9(2)14(8)7-6-13-10(11)12;1-5(2,3)4/h8-9H,3-7H2,1-2H3,(H4,11,12,13);(H2,1,2,3,4)
InChIKeyOKGWDEKFXLLQOI-UHFFFAOYSA-N
XLogP-0.13
TPSA142.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-0.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid?
The IUPAC name of 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid (CID 23617368) is 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid.
What is the SMILES notation for 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid?
The canonical SMILES for 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid is CC1CCCC(C)N1CCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid?
The InChIKey is OKGWDEKFXLLQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4.H2O4S/c1-8-4-3-5-9(2)14(8)7-6-13-10(11)12;1-5(2,3)4/h8-9H,3-7H2,1-2H3,(H4,11,12,13);(H2,1,2,3,4).
What are the key properties of 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid?
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid has a molecular weight of 296.39 g/mol, XLogP of -0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine;sulfuric acid is sourced from PubChem (CID 23617368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).