3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide

C10H18BF3N- — CID 106746074

IUPAC3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(C)CC1CCCC1)[B-](F)(F)F
InChIInChI=1S/C10H18BF3N/c1-9(11(12,13)14)7-15(2)8-10-5-3-4-6-10/h10H,1,3-8H2,2H3/q-1
InChIKeyKQLUMRVPZXRFDL-UHFFFAOYSA-N
MW220.07 g/mol
LogP3.05
Rot. Bonds5

About 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide

3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746074) has the molecular formula C10H18BF3N- and a molecular weight of 220.07 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746074
Molecular FormulaC10H18BF3N-
Molecular Weight220.07 g/mol
Exact Mass220.15
IUPAC Name3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(C)CC1CCCC1)[B-](F)(F)F
InChIInChI=1S/C10H18BF3N/c1-9(11(12,13)14)7-15(2)8-10-5-3-4-6-10/h10H,1,3-8H2,2H3/q-1
InChIKeyKQLUMRVPZXRFDL-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106746074) is 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(C)CC1CCCC1)[B-](F)(F)F.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is KQLUMRVPZXRFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3N/c1-9(11(12,13)14)7-15(2)8-10-5-3-4-6-10/h10H,1,3-8H2,2H3/q-1.
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide?
3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 220.07 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).