potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine

C8H16KNO — CID 176961339

IUPACpotassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine
SMILES[CH2-]OC(C)C1CCCN1C.[K+]
InChIInChI=1S/C8H16NO.K/c1-7(10-3)8-5-4-6-9(8)2;/h7-8H,3-6H2,1-2H3;/q-1;+1
InChIKeyMCETYKQBJUZWFM-UHFFFAOYSA-N
MW181.32 g/mol
LogP-1.72
Rot. Bonds2

About potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine

potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine (PubChem CID 176961339) has the molecular formula C8H16KNO and a molecular weight of 181.32 g/mol. Its IUPAC name is potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Namepotassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine
PubChem CID176961339
Molecular FormulaC8H16KNO
Molecular Weight181.32 g/mol
Exact Mass181.09
IUPAC Namepotassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine
SMILES[CH2-]OC(C)C1CCCN1C.[K+]
InChIInChI=1S/C8H16NO.K/c1-7(10-3)8-5-4-6-9(8)2;/h7-8H,3-6H2,1-2H3;/q-1;+1
InChIKeyMCETYKQBJUZWFM-UHFFFAOYSA-N
XLogP-1.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 5-1.72
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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Related Compounds

ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 176920826
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
CID 59120846
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
1-(1-methylpyrrolidin-2-yl)ethyl prop-2-enoate
CID 175306856
2-benzhydryl-1-methylpyrrolidine
CID 71178925
(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine;methanol;(2S)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 172612732
ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
2-methoxy-2,3-dimethylbutane;1-methyl-2-propan-2-ylpyrrolidine
CID 172575783
(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine
CID 167139875
ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine
CID 168995701
1-methyl-2-penta-3,4-dien-2-ylpyrrolidine
CID 130241849
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426

Frequently Asked Questions

What is the IUPAC name of potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine?
The IUPAC name of potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine (CID 176961339) is potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine.
What is the SMILES notation for potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine?
The canonical SMILES for potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine is [CH2-]OC(C)C1CCCN1C.[K+].
What is the InChIKey of potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine?
The InChIKey is MCETYKQBJUZWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO.K/c1-7(10-3)8-5-4-6-9(8)2;/h7-8H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine?
potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of -1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176961339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).