potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide

C8H17BF3KN2O — CID 66052358

IUPACpotassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
SMILESCN(C)CC1CC(O)CN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C8H17BF3N2O.K/c1-13(2)4-7-3-8(15)5-14(7)6-9(10,11)12;/h7-8,15H,3-6H2,1-2H3;/q-1;+1
InChIKeyYGMIIKXFGWIXGQ-UHFFFAOYSA-N
MW264.14 g/mol
LogP-2.63
Rot. Bonds4

About potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide

potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide (PubChem CID 66052358) has the molecular formula C8H17BF3KN2O and a molecular weight of 264.14 g/mol. Its IUPAC name is potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
PubChem CID66052358
Molecular FormulaC8H17BF3KN2O
Molecular Weight264.14 g/mol
Exact Mass264.10
IUPAC Namepotassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
SMILESCN(C)CC1CC(O)CN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C8H17BF3N2O.K/c1-13(2)4-7-3-8(15)5-14(7)6-9(10,11)12;/h7-8,15H,3-6H2,1-2H3;/q-1;+1
InChIKeyYGMIIKXFGWIXGQ-UHFFFAOYSA-N
XLogP-2.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide
CID 63704368
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054174
5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
CID 66052432
1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056646
1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82930921
5-[(dimethylamino)methyl]-1-(oxolan-3-ylmethyl)pyrrolidin-3-ol
CID 66052422
1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 104643439
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66051476
5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892577
5-[(dimethylamino)methyl]-1-pent-4-enylpyrrolidin-3-ol
CID 66051859

Frequently Asked Questions

What is the IUPAC name of potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide?
The IUPAC name of potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide (CID 66052358) is potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide?
The canonical SMILES for potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide is CN(C)CC1CC(O)CN1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide?
The InChIKey is YGMIIKXFGWIXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BF3N2O.K/c1-13(2)4-7-3-8(15)5-14(7)6-9(10,11)12;/h7-8,15H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide?
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide has a molecular weight of 264.14 g/mol, XLogP of -2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide is sourced from PubChem (CID 66052358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).