2,3-dimethylbutane-2,3-diamine;sulfuric acid

C6H18N2O4S — CID 175026836

IUPAC2,3-dimethylbutane-2,3-diamine;sulfuric acid
SMILESCC(C)(N)C(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C6H16N2.H2O4S/c1-5(2,7)6(3,4)8;1-5(2,3)4/h7-8H2,1-4H3;(H2,1,2,3,4)
InChIKeyOLGJZCYDHPOWPF-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.19
Rot. Bonds1

About 2,3-dimethylbutane-2,3-diamine;sulfuric acid

2,3-dimethylbutane-2,3-diamine;sulfuric acid (PubChem CID 175026836) has the molecular formula C6H18N2O4S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diamine;sulfuric acid.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diamine;sulfuric acid
PubChem CID175026836
Molecular FormulaC6H18N2O4S
Molecular Weight214.29 g/mol
Exact Mass214.10
IUPAC Name2,3-dimethylbutane-2,3-diamine;sulfuric acid
SMILESCC(C)(N)C(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C6H16N2.H2O4S/c1-5(2,7)6(3,4)8;1-5(2,3)4/h7-8H2,1-4H3;(H2,1,2,3,4)
InChIKeyOLGJZCYDHPOWPF-UHFFFAOYSA-N
XLogP-0.19
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.19
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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Related Compounds

2-aminopropane-2-sulfonic acid
CID 18332427
2-aminobutan-2-ol;azane;sulfuric acid
CID 174805988
methanamine;methane;sulfuric acid
CID 173391364
2-methylpentan-2-amine;sulfuric acid
CID 174200327
methanol;sulfuric acid
CID 174902694
hydroxylamine;sulfuric acid
CID 173362225
ethane;sulfuric acid
CID 174865721
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
methanesulfonic acid;2,3,4-trimethylpentan-3-amine
CID 173156179
dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate
CID 173436078
sulfuric acid;tetramethylphosphanium
CID 87132357
sulfuric acid;tetramethyl-λ4-sulfane
CID 87168995

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diamine;sulfuric acid?
The IUPAC name of 2,3-dimethylbutane-2,3-diamine;sulfuric acid (CID 175026836) is 2,3-dimethylbutane-2,3-diamine;sulfuric acid.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diamine;sulfuric acid?
The canonical SMILES for 2,3-dimethylbutane-2,3-diamine;sulfuric acid is CC(C)(N)C(C)(C)N.O=S(=O)(O)O.
What is the InChIKey of 2,3-dimethylbutane-2,3-diamine;sulfuric acid?
The InChIKey is OLGJZCYDHPOWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.H2O4S/c1-5(2,7)6(3,4)8;1-5(2,3)4/h7-8H2,1-4H3;(H2,1,2,3,4).
What are the key properties of 2,3-dimethylbutane-2,3-diamine;sulfuric acid?
2,3-dimethylbutane-2,3-diamine;sulfuric acid has a molecular weight of 214.29 g/mol, XLogP of -0.19, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diamine;sulfuric acid is sourced from PubChem (CID 175026836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).