(2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide

C8H16BF3N- — CID 83224173

IUPAC(2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide
SMILESCCC1CCC(C)N1C[B-](F)(F)F
InChIInChI=1S/C8H16BF3N/c1-3-8-5-4-7(2)13(8)6-9(10,11)12/h7-8H,3-6H2,1-2H3/q-1
InChIKeyOCDBPSLFCPSWGM-UHFFFAOYSA-N
MW194.03 g/mol
LogP2.64
Rot. Bonds3

About (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide

(2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide (PubChem CID 83224173) has the molecular formula C8H16BF3N- and a molecular weight of 194.03 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide
PubChem CID83224173
Molecular FormulaC8H16BF3N-
Molecular Weight194.03 g/mol
Exact Mass194.13
IUPAC Name(2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide
SMILESCCC1CCC(C)N1C[B-](F)(F)F
InChIInChI=1S/C8H16BF3N/c1-3-8-5-4-7(2)13(8)6-9(10,11)12/h7-8H,3-6H2,1-2H3/q-1
InChIKeyOCDBPSLFCPSWGM-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.03
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide 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

(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
CID 103934796
3-(2-ethyl-5-methylpyrrolidin-1-yl)propanal
CID 83219777
1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine
CID 83220743
[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanethiol
CID 83223920
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 83218723
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
CID 83135393
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
CID 83218882
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071163
1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284
1-[2-(bromomethyl)-3-methylbutyl]-2-ethyl-5-methylpyrrolidine
CID 83218678
2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 164655269
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 83219079

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide?
The IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide (CID 83224173) is (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide is CCC1CCC(C)N1C[B-](F)(F)F.
What is the InChIKey of (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide?
The InChIKey is OCDBPSLFCPSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BF3N/c1-3-8-5-4-7(2)13(8)6-9(10,11)12/h7-8H,3-6H2,1-2H3/q-1.
What are the key properties of (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide?
(2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide has a molecular weight of 194.03 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrrolidin-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 83224173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).