[2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C14H18F3N3 — CID 58873373

IUPAC[2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C14H18F3N3/c15-14(16,17)11-2-1-10(9-18)12(19-11)20-7-5-13(3-4-13)6-8-20/h1-2H,3-9,18H2
InChIKeyZYJJLCDEVKWUJC-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.94
Rot. Bonds2

About [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 58873373) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID58873373
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name[2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C14H18F3N3/c15-14(16,17)11-2-1-10(9-18)12(19-11)20-7-5-13(3-4-13)6-8-20/h1-2H,3-9,18H2
InChIKeyZYJJLCDEVKWUJC-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 58873373) is [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)(F)F)nc1N1CCC2(CC1)CC2.
What is the InChIKey of [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is ZYJJLCDEVKWUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c15-14(16,17)11-2-1-10(9-18)12(19-11)20-7-5-13(3-4-13)6-8-20/h1-2H,3-9,18H2.
What are the key properties of [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 285.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 58873373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).