potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane

C9H22KNO — CID 156812899

IUPACpotassium;ethane;N-methanidyl-N-methylmethanamine;oxolane
SMILESC1CCOC1.CC.[CH2-]N(C)C.[K+]
InChIInChI=1S/C4H8O.C3H8N.C2H6.K/c1-2-4-5-3-1;1-4(2)3;1-2;/h1-4H2;1H2,2-3H3;1-2H3;/q;-1;;+1
InChIKeyQORHZESYSWTXJU-UHFFFAOYSA-N
MW199.38 g/mol
LogP-0.83
Rot. Bonds

About potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane

potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane (PubChem CID 156812899) has the molecular formula C9H22KNO and a molecular weight of 199.38 g/mol. Its IUPAC name is potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane.

Molecular Properties

Compound Namepotassium;ethane;N-methanidyl-N-methylmethanamine;oxolane
PubChem CID156812899
Molecular FormulaC9H22KNO
Molecular Weight199.38 g/mol
Exact Mass199.13
IUPAC Namepotassium;ethane;N-methanidyl-N-methylmethanamine;oxolane
SMILESC1CCOC1.CC.[CH2-]N(C)C.[K+]
InChIInChI=1S/C4H8O.C3H8N.C2H6.K/c1-2-4-5-3-1;1-4(2)3;1-2;/h1-4H2;1H2,2-3H3;1-2H3;/q;-1;;+1
InChIKeyQORHZESYSWTXJU-UHFFFAOYSA-N
XLogP-0.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane?
The IUPAC name of potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane (CID 156812899) is potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane.
What is the SMILES notation for potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane?
The canonical SMILES for potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane is C1CCOC1.CC.[CH2-]N(C)C.[K+].
What is the InChIKey of potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane?
The InChIKey is QORHZESYSWTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H8N.C2H6.K/c1-2-4-5-3-1;1-4(2)3;1-2;/h1-4H2;1H2,2-3H3;1-2H3;/q;-1;;+1.
What are the key properties of potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane?
potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane has a molecular weight of 199.38 g/mol, XLogP of -0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;N-methanidyl-N-methylmethanamine;oxolane is sourced from PubChem (CID 156812899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).