N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine

C13H16F3N3 — CID 105364808

IUPACN-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)(F)c1ccc(NC2CCN3CCC2C3)cn1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)12-2-1-10(7-17-12)18-11-4-6-19-5-3-9(11)8-19/h1-2,7,9,11,18H,3-6,8H2
InChIKeyDWCZRYWVMDHUGE-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.61
Rot. Bonds2

About N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364808) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364808
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC NameN-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)(F)c1ccc(NC2CCN3CCC2C3)cn1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)12-2-1-10(7-17-12)18-11-4-6-19-5-3-9(11)8-19/h1-2,7,9,11,18H,3-6,8H2
InChIKeyDWCZRYWVMDHUGE-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364808) is N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine is FC(F)(F)c1ccc(NC2CCN3CCC2C3)cn1.
What is the InChIKey of N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is DWCZRYWVMDHUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)12-2-1-10(7-17-12)18-11-4-6-19-5-3-9(11)8-19/h1-2,7,9,11,18H,3-6,8H2.
What are the key properties of N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 271.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).