1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine

C13H22F3N — CID 114245869

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C13H22F3N/c1-2-5-17-12(8-13(14,15)16)11-7-9-3-4-10(11)6-9/h9-12,17H,2-8H2,1H3
InChIKeyOYKNBDLFBMFZGP-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.74
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 114245869) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID114245869
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C13H22F3N/c1-2-5-17-12(8-13(14,15)16)11-7-9-3-4-10(11)6-9/h9-12,17H,2-8H2,1H3
InChIKeyOYKNBDLFBMFZGP-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406929
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
CID 113383565
N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine
CID 114245961
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046
N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 114192236
N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63021630
[1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentyl]hydrazine
CID 105266865
N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503991
N-[2-bicyclo[2.2.1]heptanyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63502670
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 114246670

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 114245869) is 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is OYKNBDLFBMFZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-2-5-17-12(8-13(14,15)16)11-7-9-3-4-10(11)6-9/h9-12,17H,2-8H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 114245869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).