bis(propan-2-amine);sulfuric acid

C6H20N2O4S — CID 170851434

IUPACbis(propan-2-amine);sulfuric acid
SMILESCC(C)N.CC(C)N.O=S(=O)(O)O
InChIInChI=1S/2C3H9N.H2O4S/c2*1-3(2)4;1-5(2,3)4/h2*3H,4H2,1-2H3;(H2,1,2,3,4)
InChIKeyVJDPRIDCVIEIRE-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.05
Rot. Bonds

About bis(propan-2-amine);sulfuric acid

bis(propan-2-amine);sulfuric acid (PubChem CID 170851434) has the molecular formula C6H20N2O4S and a molecular weight of 216.30 g/mol. Its IUPAC name is bis(propan-2-amine);sulfuric acid.

Molecular Properties

Compound Namebis(propan-2-amine);sulfuric acid
PubChem CID170851434
Molecular FormulaC6H20N2O4S
Molecular Weight216.30 g/mol
Exact Mass216.11
IUPAC Namebis(propan-2-amine);sulfuric acid
SMILESCC(C)N.CC(C)N.O=S(=O)(O)O
InChIInChI=1S/2C3H9N.H2O4S/c2*1-3(2)4;1-5(2,3)4/h2*3H,4H2,1-2H3;(H2,1,2,3,4)
InChIKeyVJDPRIDCVIEIRE-UHFFFAOYSA-N
XLogP0.05
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.05
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

sulfuric acid, di(butylamine) salt
CID 217637
Sulfuric acid, di(ethylamine) salt
CID 120270
sulfuric acid, di(propylamine) salt
CID 3055952
Isopropylamine sulfate
CID 62170
Bis(isopropylammonium) sulphate
CID 6454858
N,N'-diisopropylsulfamide
CID 2818101
Propylammoniumsulfat
CID 88779842
2-Propanamine, N-(1-methylethyl)-, sulfate (2:1)
CID 173925
2-Propanamine, N-hydroxy-, sulfate (2:1)
CID 116640
Isopropylammonium sulfite
CID 129790285
Bis(hydroxy(propan-2-yl)azanium);sulfate
CID 71439309
Aquadihydroxybis(1-propanamine)(sulfato(2-)-O)platinum
CID 121232528

Frequently Asked Questions

What is the IUPAC name of bis(propan-2-amine);sulfuric acid?
The IUPAC name of bis(propan-2-amine);sulfuric acid (CID 170851434) is bis(propan-2-amine);sulfuric acid.
What is the SMILES notation for bis(propan-2-amine);sulfuric acid?
The canonical SMILES for bis(propan-2-amine);sulfuric acid is CC(C)N.CC(C)N.O=S(=O)(O)O.
What is the InChIKey of bis(propan-2-amine);sulfuric acid?
The InChIKey is VJDPRIDCVIEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.H2O4S/c2*1-3(2)4;1-5(2,3)4/h2*3H,4H2,1-2H3;(H2,1,2,3,4).
What are the key properties of bis(propan-2-amine);sulfuric acid?
bis(propan-2-amine);sulfuric acid has a molecular weight of 216.30 g/mol, XLogP of 0.05, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-amine);sulfuric acid is sourced from PubChem (CID 170851434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).