2-methylbutan-2-amine;sulfuric acid

C5H15NO4S — CID 174815316

IUPAC2-methylbutan-2-amine;sulfuric acid
SMILESCCC(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C5H13N.H2O4S/c1-4-5(2,3)6;1-5(2,3)4/h4,6H2,1-3H3;(H2,1,2,3,4)
InChIKeyFYEGQTGNVLTLGG-UHFFFAOYSA-N
MW185.24 g/mol
LogP0.48
Rot. Bonds1

About 2-methylbutan-2-amine;sulfuric acid

2-methylbutan-2-amine;sulfuric acid (PubChem CID 174815316) has the molecular formula C5H15NO4S and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-methylbutan-2-amine;sulfuric acid.

Molecular Properties

Compound Name2-methylbutan-2-amine;sulfuric acid
PubChem CID174815316
Molecular FormulaC5H15NO4S
Molecular Weight185.24 g/mol
Exact Mass185.07
IUPAC Name2-methylbutan-2-amine;sulfuric acid
SMILESCCC(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C5H13N.H2O4S/c1-4-5(2,3)6;1-5(2,3)4/h4,6H2,1-3H3;(H2,1,2,3,4)
InChIKeyFYEGQTGNVLTLGG-UHFFFAOYSA-N
XLogP0.48
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-amine;sulfuric acid?
The IUPAC name of 2-methylbutan-2-amine;sulfuric acid (CID 174815316) is 2-methylbutan-2-amine;sulfuric acid.
What is the SMILES notation for 2-methylbutan-2-amine;sulfuric acid?
The canonical SMILES for 2-methylbutan-2-amine;sulfuric acid is CCC(C)(C)N.O=S(=O)(O)O.
What is the InChIKey of 2-methylbutan-2-amine;sulfuric acid?
The InChIKey is FYEGQTGNVLTLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.H2O4S/c1-4-5(2,3)6;1-5(2,3)4/h4,6H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 2-methylbutan-2-amine;sulfuric acid?
2-methylbutan-2-amine;sulfuric acid has a molecular weight of 185.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-amine;sulfuric acid is sourced from PubChem (CID 174815316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).