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

C8H17BF3KN2 — CID 63704368

IUPACpotassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide
SMILESCN(C)CC1CCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C8H17BF3N2.K/c1-13(2)6-8-4-3-5-14(8)7-9(10,11)12;/h8H,3-7H2,1-2H3;/q-1;+1
InChIKeyUJTWMXQZNHJTBT-UHFFFAOYSA-N
MW248.14 g/mol
LogP-1.60
Rot. Bonds4

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

potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide (PubChem CID 63704368) has the molecular formula C8H17BF3KN2 and a molecular weight of 248.14 g/mol. Its IUPAC name is potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide
PubChem CID63704368
Molecular FormulaC8H17BF3KN2
Molecular Weight248.14 g/mol
Exact Mass248.11
IUPAC Namepotassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide
SMILESCN(C)CC1CCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C8H17BF3N2.K/c1-13(2)6-8-4-3-5-14(8)7-9(10,11)12;/h8H,3-7H2,1-2H3;/q-1;+1
InChIKeyUJTWMXQZNHJTBT-UHFFFAOYSA-N
XLogP-1.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide
CID 63704887
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
CID 62888278
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanethioamide
CID 62887360
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975847
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62886265
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]prop-2-ene-1-thiol
CID 103073163
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279

Frequently Asked Questions

What is the IUPAC name of potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide?
The IUPAC name of potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide (CID 63704368) is potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide?
The canonical SMILES for potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide is CN(C)CC1CCCN1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide?
The InChIKey is UJTWMXQZNHJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BF3N2.K/c1-13(2)6-8-4-3-5-14(8)7-9(10,11)12;/h8H,3-7H2,1-2H3;/q-1;+1.
What are the key properties of potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide?
potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide has a molecular weight of 248.14 g/mol, XLogP of -1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide is sourced from PubChem (CID 63704368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).