2-butan-2-ylguanidine;sulfuric acid

C5H15N3O4S — CID 88797241

IUPAC2-butan-2-ylguanidine;sulfuric acid
SMILESCCC(C)N=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C5H13N3.H2O4S/c1-3-4(2)8-5(6)7;1-5(2,3)4/h4H,3H2,1-2H3,(H4,6,7,8);(H2,1,2,3,4)
InChIKeyFFBINZKKJRVKFT-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.59
Rot. Bonds2

About 2-butan-2-ylguanidine;sulfuric acid

2-butan-2-ylguanidine;sulfuric acid (PubChem CID 88797241) has the molecular formula C5H15N3O4S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-butan-2-ylguanidine;sulfuric acid.

Molecular Properties

Compound Name2-butan-2-ylguanidine;sulfuric acid
PubChem CID88797241
Molecular FormulaC5H15N3O4S
Molecular Weight213.26 g/mol
Exact Mass213.08
IUPAC Name2-butan-2-ylguanidine;sulfuric acid
SMILESCCC(C)N=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C5H13N3.H2O4S/c1-3-4(2)8-5(6)7;1-5(2,3)4/h4H,3H2,1-2H3,(H4,6,7,8);(H2,1,2,3,4)
InChIKeyFFBINZKKJRVKFT-UHFFFAOYSA-N
XLogP-0.59
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.59
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-butan-2-ylguanidine;sulfuric acid?
The IUPAC name of 2-butan-2-ylguanidine;sulfuric acid (CID 88797241) is 2-butan-2-ylguanidine;sulfuric acid.
What is the SMILES notation for 2-butan-2-ylguanidine;sulfuric acid?
The canonical SMILES for 2-butan-2-ylguanidine;sulfuric acid is CCC(C)N=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 2-butan-2-ylguanidine;sulfuric acid?
The InChIKey is FFBINZKKJRVKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.H2O4S/c1-3-4(2)8-5(6)7;1-5(2,3)4/h4H,3H2,1-2H3,(H4,6,7,8);(H2,1,2,3,4).
What are the key properties of 2-butan-2-ylguanidine;sulfuric acid?
2-butan-2-ylguanidine;sulfuric acid has a molecular weight of 213.26 g/mol, XLogP of -0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylguanidine;sulfuric acid is sourced from PubChem (CID 88797241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).