2-cyclohexylguanidine;sulfuric acid

C7H17N3O4S — CID 45053526

IUPAC2-cyclohexylguanidine;sulfuric acid
SMILESNC(N)=NC1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C7H15N3.H2O4S/c8-7(9)10-6-4-2-1-3-5-6;1-5(2,3)4/h6H,1-5H2,(H4,8,9,10);(H2,1,2,3,4)
InChIKeyQIGNGLONSGDDTG-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.06
Rot. Bonds1

About 2-cyclohexylguanidine;sulfuric acid

2-cyclohexylguanidine;sulfuric acid (PubChem CID 45053526) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-cyclohexylguanidine;sulfuric acid.

Molecular Properties

Compound Name2-cyclohexylguanidine;sulfuric acid
PubChem CID45053526
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC Name2-cyclohexylguanidine;sulfuric acid
SMILESNC(N)=NC1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C7H15N3.H2O4S/c8-7(9)10-6-4-2-1-3-5-6;1-5(2,3)4/h6H,1-5H2,(H4,8,9,10);(H2,1,2,3,4)
InChIKeyQIGNGLONSGDDTG-UHFFFAOYSA-N
XLogP-0.06
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-cyclohexylguanidine;sulfuric acid?
The IUPAC name of 2-cyclohexylguanidine;sulfuric acid (CID 45053526) is 2-cyclohexylguanidine;sulfuric acid.
What is the SMILES notation for 2-cyclohexylguanidine;sulfuric acid?
The canonical SMILES for 2-cyclohexylguanidine;sulfuric acid is NC(N)=NC1CCCCC1.O=S(=O)(O)O.
What is the InChIKey of 2-cyclohexylguanidine;sulfuric acid?
The InChIKey is QIGNGLONSGDDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.H2O4S/c8-7(9)10-6-4-2-1-3-5-6;1-5(2,3)4/h6H,1-5H2,(H4,8,9,10);(H2,1,2,3,4).
What are the key properties of 2-cyclohexylguanidine;sulfuric acid?
2-cyclohexylguanidine;sulfuric acid has a molecular weight of 239.30 g/mol, XLogP of -0.06, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylguanidine;sulfuric acid is sourced from PubChem (CID 45053526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).