N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C17H25FN2 — CID 83118407

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1(C)C2(C)C)c1ccc(F)cn1
InChIInChI=1S/C17H25FN2/c1-11(14-6-5-13(18)10-19-14)20-15-9-12-7-8-17(15,4)16(12,2)3/h5-6,10-12,15,20H,7-9H2,1-4H3
InChIKeyRILTVTBMQHMUCL-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.09
Rot. Bonds3

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 83118407) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID83118407
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1(C)C2(C)C)c1ccc(F)cn1
InChIInChI=1S/C17H25FN2/c1-11(14-6-5-13(18)10-19-14)20-15-9-12-7-8-17(15,4)16(12,2)3/h5-6,10-12,15,20H,7-9H2,1-4H3
InChIKeyRILTVTBMQHMUCL-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 83118407) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1(C)C2(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is RILTVTBMQHMUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-11(14-6-5-13(18)10-19-14)20-15-9-12-7-8-17(15,4)16(12,2)3/h5-6,10-12,15,20H,7-9H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 276.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 83118407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).