trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide

C10H19BF3N2- — CID 106746162

IUPACtrifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)CC1CCCN1C)[B-](F)(F)F
InChIInChI=1S/C10H19BF3N2/c1-9(11(12,13)14)7-15(2)8-10-5-4-6-16(10)3/h10H,1,4-8H2,2-3H3/q-1
InChIKeyQCMLKPYQQVZTJO-UHFFFAOYSA-N
MW235.08 g/mol
LogP1.96
Rot. Bonds5

About trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide

trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide (PubChem CID 106746162) has the molecular formula C10H19BF3N2- and a molecular weight of 235.08 g/mol. Its IUPAC name is trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide
PubChem CID106746162
Molecular FormulaC10H19BF3N2-
Molecular Weight235.08 g/mol
Exact Mass235.16
IUPAC Nametrifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)CC1CCCN1C)[B-](F)(F)F
InChIInChI=1S/C10H19BF3N2/c1-9(11(12,13)14)7-15(2)8-10-5-4-6-16(10)3/h10H,1,4-8H2,2-3H3/q-1
InChIKeyQCMLKPYQQVZTJO-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(Dimethylamino)methyl]pyrrolidin-1-yl]methyl-trifluoroboranuide
CID 63704369
Trifluoro-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]boranuide
CID 79317982
[(1-Ethylpyrrolidin-2-yl)methyl-methylamino]methyl-trifluoroboranuide
CID 79318062
3-(2-Ethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745538
Trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745541
3-[Cyclopentyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745694
3-[Cyclopentyl(ethyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745726
Trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106745886
Trifluoro-[3-[methyl-(1-methylpiperidin-3-yl)amino]prop-1-en-2-yl]boranuide
CID 106745992
3-[2-[(Dimethylamino)methyl]pyrrolidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746000
3-[3-(Dimethylamino)pyrrolidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746042
3-[3-(Diethylamino)pyrrolidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746044

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide (CID 106746162) is trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide is C=C(CN(C)CC1CCCN1C)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide?
The InChIKey is QCMLKPYQQVZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BF3N2/c1-9(11(12,13)14)7-15(2)8-10-5-4-6-16(10)3/h10H,1,4-8H2,2-3H3/q-1.
What are the key properties of trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide?
trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide has a molecular weight of 235.08 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).