[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide

C10H18BF3N- — CID 63685558

IUPAC[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide
SMILESCN(CC1CC2CCC1C2)C[B-](F)(F)F
InChIInChI=1S/C10H18BF3N/c1-15(7-11(12,13)14)6-10-5-8-2-3-9(10)4-8/h8-10H,2-7H2,1H3/q-1
InChIKeyIYWKAEHXHNJTKR-UHFFFAOYSA-N
MW220.07 g/mol
LogP2.74
Rot. Bonds4

About [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide

[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide (PubChem CID 63685558) has the molecular formula C10H18BF3N- and a molecular weight of 220.07 g/mol. Its IUPAC name is [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide.

Molecular Properties

Compound Name[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide
PubChem CID63685558
Molecular FormulaC10H18BF3N-
Molecular Weight220.07 g/mol
Exact Mass220.15
IUPAC Name[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide
SMILESCN(CC1CC2CCC1C2)C[B-](F)(F)F
InChIInChI=1S/C10H18BF3N/c1-15(7-11(12,13)14)6-10-5-8-2-3-9(10)4-8/h8-10H,2-7H2,1H3/q-1
InChIKeyIYWKAEHXHNJTKR-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine
CID 79550427
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylpropan-1-amine
CID 80667462
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-methylbut-2-en-1-amine
CID 77051245
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
CID 63684185

Frequently Asked Questions

What is the IUPAC name of [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide?
The IUPAC name of [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide (CID 63685558) is [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide.
What is the SMILES notation for [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide?
The canonical SMILES for [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide is CN(CC1CC2CCC1C2)C[B-](F)(F)F.
What is the InChIKey of [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide?
The InChIKey is IYWKAEHXHNJTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3N/c1-15(7-11(12,13)14)6-10-5-8-2-3-9(10)4-8/h8-10H,2-7H2,1H3/q-1.
What are the key properties of [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide?
[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide has a molecular weight of 220.07 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide is sourced from PubChem (CID 63685558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).