2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid

C7H16N2O8S — CID 88674774

IUPAC2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid
SMILESCC(C#N)N(OCCO)OCCO.O=S(=O)(O)O
InChIInChI=1S/C7H14N2O4.H2O4S/c1-7(6-8)9(12-4-2-10)13-5-3-11;1-5(2,3)4/h7,10-11H,2-5H2,1H3;(H2,1,2,3,4)
InChIKeyVTLZRWHFOQHHSK-UHFFFAOYSA-N
MW288.28 g/mol
LogP-1.60
Rot. Bonds7

About 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid

2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid (PubChem CID 88674774) has the molecular formula C7H16N2O8S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid
PubChem CID88674774
Molecular FormulaC7H16N2O8S
Molecular Weight288.28 g/mol
Exact Mass288.06
IUPAC Name2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid
SMILESCC(C#N)N(OCCO)OCCO.O=S(=O)(O)O
InChIInChI=1S/C7H14N2O4.H2O4S/c1-7(6-8)9(12-4-2-10)13-5-3-11;1-5(2,3)4/h7,10-11H,2-5H2,1H3;(H2,1,2,3,4)
InChIKeyVTLZRWHFOQHHSK-UHFFFAOYSA-N
XLogP-1.60
TPSA160.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid
CID 175015105
2-[2-methoxyethoxy(propan-2-yl)amino]oxyethanol
CID 150143139
2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate
CID 174843406
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749078
2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol
CID 174789836
sulfuric acid;tetramethylphosphanium
CID 87132357
2-ethoxyethanol;sulfuric acid
CID 87749123
2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87748726
2-(3-iodoprop-2-ynoxy)ethanol;methanesulfonic acid
CID 71325119
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid (CID 88674774) is 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid is CC(C#N)N(OCCO)OCCO.O=S(=O)(O)O.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid?
The InChIKey is VTLZRWHFOQHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4.H2O4S/c1-7(6-8)9(12-4-2-10)13-5-3-11;1-5(2,3)4/h7,10-11H,2-5H2,1H3;(H2,1,2,3,4).
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid?
2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid has a molecular weight of 288.28 g/mol, XLogP of -1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid is sourced from PubChem (CID 88674774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).