potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine

C12H23KN2O — CID 176921101

IUPACpotassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine
SMILESCOCCN(C)CC1CC[C-]2CCCN21.[K+]
InChIInChI=1S/C12H23N2O.K/c1-13(8-9-15-2)10-12-6-5-11-4-3-7-14(11)12;/h12H,3-10H2,1-2H3;/q-1;+1
InChIKeyWUTXOCKOBGATBW-UHFFFAOYSA-N
MW250.43 g/mol
LogP-1.64
Rot. Bonds5

About potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine

potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine (PubChem CID 176921101) has the molecular formula C12H23KN2O and a molecular weight of 250.43 g/mol. Its IUPAC name is potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Namepotassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine
PubChem CID176921101
Molecular FormulaC12H23KN2O
Molecular Weight250.43 g/mol
Exact Mass250.14
IUPAC Namepotassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine
SMILESCOCCN(C)CC1CC[C-]2CCCN21.[K+]
InChIInChI=1S/C12H23N2O.K/c1-13(8-9-15-2)10-12-6-5-11-4-3-7-14(11)12;/h12H,3-10H2,1-2H3;/q-1;+1
InChIKeyWUTXOCKOBGATBW-UHFFFAOYSA-N
XLogP-1.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine with MolForge

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Related Compounds

2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine
CID 170602039
2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
CID 90146772
2-methoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 62371781
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 100898340
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 96570139
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775761
1-cyclopentyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745174
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
N-(3-methoxypropyl)-N,1-dimethylpiperidin-4-amine
CID 166948035
2-[[2-methoxyethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62610889
methane;2-methoxy-N,N-dimethylethanamine;2-(methoxymethyl)-1-methylpyrrolidine
CID 159485397

Frequently Asked Questions

What is the IUPAC name of potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine?
The IUPAC name of potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine (CID 176921101) is potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine is COCCN(C)CC1CC[C-]2CCCN21.[K+].
What is the InChIKey of potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine?
The InChIKey is WUTXOCKOBGATBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2O.K/c1-13(8-9-15-2)10-12-6-5-11-4-3-7-14(11)12;/h12H,3-10H2,1-2H3;/q-1;+1.
What are the key properties of potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine?
potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine has a molecular weight of 250.43 g/mol, XLogP of -1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 176921101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).