bis(2-methylbutan-1-amine);sulfuric acid

C10H28N2O4S — CID 3055954

IUPACbis(2-methylbutan-1-amine);sulfuric acid
SMILESCCC(C)CN.CCC(C)CN.O=S(=O)(O)O
InChIInChI=1S/2C5H13N.H2O4S/c2*1-3-5(2)4-6;1-5(2,3)4/h2*5H,3-4,6H2,1-2H3;(H2,1,2,3,4)
InChIKeyXTMYMEZNZZNPHK-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.33
Rot. Bonds4

About bis(2-methylbutan-1-amine);sulfuric acid

bis(2-methylbutan-1-amine);sulfuric acid (PubChem CID 3055954) has the molecular formula C10H28N2O4S and a molecular weight of 272.41 g/mol. Its IUPAC name is bis(2-methylbutan-1-amine);sulfuric acid.

Molecular Properties

Compound Namebis(2-methylbutan-1-amine);sulfuric acid
PubChem CID3055954
Molecular FormulaC10H28N2O4S
Molecular Weight272.41 g/mol
Exact Mass272.18
IUPAC Namebis(2-methylbutan-1-amine);sulfuric acid
SMILESCCC(C)CN.CCC(C)CN.O=S(=O)(O)O
InChIInChI=1S/2C5H13N.H2O4S/c2*1-3-5(2)4-6;1-5(2,3)4/h2*5H,3-4,6H2,1-2H3;(H2,1,2,3,4)
InChIKeyXTMYMEZNZZNPHK-UHFFFAOYSA-N
XLogP1.33
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 bis(2-methylbutan-1-amine);sulfuric acid?
The IUPAC name of bis(2-methylbutan-1-amine);sulfuric acid (CID 3055954) is bis(2-methylbutan-1-amine);sulfuric acid.
What is the SMILES notation for bis(2-methylbutan-1-amine);sulfuric acid?
The canonical SMILES for bis(2-methylbutan-1-amine);sulfuric acid is CCC(C)CN.CCC(C)CN.O=S(=O)(O)O.
What is the InChIKey of bis(2-methylbutan-1-amine);sulfuric acid?
The InChIKey is XTMYMEZNZZNPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H13N.H2O4S/c2*1-3-5(2)4-6;1-5(2,3)4/h2*5H,3-4,6H2,1-2H3;(H2,1,2,3,4).
What are the key properties of bis(2-methylbutan-1-amine);sulfuric acid?
bis(2-methylbutan-1-amine);sulfuric acid has a molecular weight of 272.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutan-1-amine);sulfuric acid is sourced from PubChem (CID 3055954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).