potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine

C6H18KN2O2Si+ — CID 134692490

IUPACpotassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine
SMILESC[Si](O)(O)CCCNCCN.[K+]
InChIInChI=1S/C6H18N2O2Si.K/c1-11(9,10)6-2-4-8-5-3-7;/h8-10H,2-7H2,1H3;/q;+1
InChIKeyXAFQUQWTGNPIIH-UHFFFAOYSA-N
MW217.41 g/mol
LogP-4.01
Rot. Bonds6

About potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine

potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine (PubChem CID 134692490) has the molecular formula C6H18KN2O2Si+ and a molecular weight of 217.41 g/mol. Its IUPAC name is potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine.

Molecular Properties

Compound Namepotassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine
PubChem CID134692490
Molecular FormulaC6H18KN2O2Si+
Molecular Weight217.41 g/mol
Exact Mass217.08
IUPAC Namepotassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine
SMILESC[Si](O)(O)CCCNCCN.[K+]
InChIInChI=1S/C6H18N2O2Si.K/c1-11(9,10)6-2-4-8-5-3-7;/h8-10H,2-7H2,1H3;/q;+1
InChIKeyXAFQUQWTGNPIIH-UHFFFAOYSA-N
XLogP-4.01
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.41
LogP ≤ 5-4.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine?
The IUPAC name of potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine (CID 134692490) is potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine.
What is the SMILES notation for potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine?
The canonical SMILES for potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine is C[Si](O)(O)CCCNCCN.[K+].
What is the InChIKey of potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine?
The InChIKey is XAFQUQWTGNPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N2O2Si.K/c1-11(9,10)6-2-4-8-5-3-7;/h8-10H,2-7H2,1H3;/q;+1.
What are the key properties of potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine?
potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine has a molecular weight of 217.41 g/mol, XLogP of -4.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine is sourced from PubChem (CID 134692490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).