1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine

C15H26F3N — CID 79964915

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1CC2CCC1C2
InChIInChI=1S/C15H26F3N/c1-2-7-19-14(5-6-15(16,17)18)10-13-9-11-3-4-12(13)8-11/h11-14,19H,2-10H2,1H3
InChIKeyPDBCOMUCYNHERB-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.52
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 79964915) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID79964915
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1CC2CCC1C2
InChIInChI=1S/C15H26F3N/c1-2-7-19-14(5-6-15(16,17)18)10-13-9-11-3-4-12(13)8-11/h11-14,19H,2-10H2,1H3
InChIKeyPDBCOMUCYNHERB-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine (CID 79964915) is 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is PDBCOMUCYNHERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N/c1-2-7-19-14(5-6-15(16,17)18)10-13-9-11-3-4-12(13)8-11/h11-14,19H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.52, 7 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)-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 79964915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).