amino(cyclohexyl)azanium;hydrogen sulfate

C6H16N2O4S — CID 6455771

IUPACamino(cyclohexyl)azanium;hydrogen sulfate
SMILESN[NH2+]C1CCCCC1.O=S(=O)([O-])O
InChIInChI=1S/C6H14N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h6,8H,1-5,7H2;(H2,1,2,3,4)
InChIKeyHYGTVVBJPFJRKV-UHFFFAOYSA-N
MW212.27 g/mol
LogP-1.24
Rot. Bonds1

About amino(cyclohexyl)azanium;hydrogen sulfate

amino(cyclohexyl)azanium;hydrogen sulfate (PubChem CID 6455771) has the molecular formula C6H16N2O4S and a molecular weight of 212.27 g/mol. Its IUPAC name is amino(cyclohexyl)azanium;hydrogen sulfate.

Molecular Properties

Compound Nameamino(cyclohexyl)azanium;hydrogen sulfate
PubChem CID6455771
Molecular FormulaC6H16N2O4S
Molecular Weight212.27 g/mol
Exact Mass212.08
IUPAC Nameamino(cyclohexyl)azanium;hydrogen sulfate
SMILESN[NH2+]C1CCCCC1.O=S(=O)([O-])O
InChIInChI=1S/C6H14N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h6,8H,1-5,7H2;(H2,1,2,3,4)
InChIKeyHYGTVVBJPFJRKV-UHFFFAOYSA-N
XLogP-1.24
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(cyclohexyl)azanium;hydrogen sulfate?
The IUPAC name of amino(cyclohexyl)azanium;hydrogen sulfate (CID 6455771) is amino(cyclohexyl)azanium;hydrogen sulfate.
What is the SMILES notation for amino(cyclohexyl)azanium;hydrogen sulfate?
The canonical SMILES for amino(cyclohexyl)azanium;hydrogen sulfate is N[NH2+]C1CCCCC1.O=S(=O)([O-])O.
What is the InChIKey of amino(cyclohexyl)azanium;hydrogen sulfate?
The InChIKey is HYGTVVBJPFJRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h6,8H,1-5,7H2;(H2,1,2,3,4).
What are the key properties of amino(cyclohexyl)azanium;hydrogen sulfate?
amino(cyclohexyl)azanium;hydrogen sulfate has a molecular weight of 212.27 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino(cyclohexyl)azanium;hydrogen sulfate is sourced from PubChem (CID 6455771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).