bis(propan-1-amine);sulfuric acid

C6H20N2O4S — CID 3055952

IUPACbis(propan-1-amine);sulfuric acid
SMILESCCCN.CCCN.O=S(=O)(O)O
InChIInChI=1S/2C3H9N.H2O4S/c2*1-2-3-4;1-5(2,3)4/h2*2-4H2,1H3;(H2,1,2,3,4)
InChIKeyUDDFKHHCYJZBDJ-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.06
Rot. Bonds2

About bis(propan-1-amine);sulfuric acid

bis(propan-1-amine);sulfuric acid (PubChem CID 3055952) has the molecular formula C6H20N2O4S and a molecular weight of 216.30 g/mol. Its IUPAC name is bis(propan-1-amine);sulfuric acid.

Molecular Properties

Compound Namebis(propan-1-amine);sulfuric acid
PubChem CID3055952
Molecular FormulaC6H20N2O4S
Molecular Weight216.30 g/mol
Exact Mass216.11
IUPAC Namebis(propan-1-amine);sulfuric acid
SMILESCCCN.CCCN.O=S(=O)(O)O
InChIInChI=1S/2C3H9N.H2O4S/c2*1-2-3-4;1-5(2,3)4/h2*2-4H2,1H3;(H2,1,2,3,4)
InChIKeyUDDFKHHCYJZBDJ-UHFFFAOYSA-N
XLogP0.06
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.06
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

N,N''''-Dipropylsulfamide
CID 15729847
sulfuric acid, di(butylamine) salt
CID 217637
Sulfuric acid, di(ethylamine) salt
CID 120270
sulfuric acid, di(pentylamine) salt
CID 3055953
Bis(isopropylammonium) sulphate
CID 6454858
Sulfuric acid--pentane-1,5-diamine (1/1)
CID 23058163
Ethyl ammonium sulfate
CID 9834157
Propylammoniumsulfat
CID 88779842
Butylammonium hydrogen sulphate
CID 23053896
Propylamine sulfate
CID 46210411
n-Butylammonium sulfate
CID 86618199
3-Aminopropylammonium hydrogensulfate
CID 132277839

Frequently Asked Questions

What is the IUPAC name of bis(propan-1-amine);sulfuric acid?
The IUPAC name of bis(propan-1-amine);sulfuric acid (CID 3055952) is bis(propan-1-amine);sulfuric acid.
What is the SMILES notation for bis(propan-1-amine);sulfuric acid?
The canonical SMILES for bis(propan-1-amine);sulfuric acid is CCCN.CCCN.O=S(=O)(O)O.
What is the InChIKey of bis(propan-1-amine);sulfuric acid?
The InChIKey is UDDFKHHCYJZBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.H2O4S/c2*1-2-3-4;1-5(2,3)4/h2*2-4H2,1H3;(H2,1,2,3,4).
What are the key properties of bis(propan-1-amine);sulfuric acid?
bis(propan-1-amine);sulfuric acid has a molecular weight of 216.30 g/mol, XLogP of 0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-1-amine);sulfuric acid is sourced from PubChem (CID 3055952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).