N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine

C14H17BrF3N3 — CID 106796498

IUPACN-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)c1cc(Br)cnc1NC1CCNC2(CCC2)C1
InChIInChI=1S/C14H17BrF3N3/c15-9-6-11(14(16,17)18)12(19-8-9)21-10-2-5-20-13(7-10)3-1-4-13/h6,8,10,20H,1-5,7H2,(H,19,21)
InChIKeyXMPJDRZZYVBGSC-UHFFFAOYSA-N
MW364.21 g/mol
LogP3.95
Rot. Bonds2

About N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine

N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine (PubChem CID 106796498) has the molecular formula C14H17BrF3N3 and a molecular weight of 364.21 g/mol. Its IUPAC name is N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine
PubChem CID106796498
Molecular FormulaC14H17BrF3N3
Molecular Weight364.21 g/mol
Exact Mass363.06
IUPAC NameN-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)c1cc(Br)cnc1NC1CCNC2(CCC2)C1
InChIInChI=1S/C14H17BrF3N3/c15-9-6-11(14(16,17)18)12(19-8-9)21-10-2-5-20-13(7-10)3-1-4-13/h6,8,10,20H,1-5,7H2,(H,19,21)
InChIKeyXMPJDRZZYVBGSC-UHFFFAOYSA-N
XLogP3.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
5-bromo-N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106996016
5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795986
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122059880
N-(5-azaspiro[3.5]nonan-8-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63617050
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796641
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine
CID 106797289
N-(5-azaspiro[3.5]nonan-8-yl)thieno[3,2-c]pyridin-4-amine
CID 43599441
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
CID 43599429

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine (CID 106796498) is N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine is FC(F)(F)c1cc(Br)cnc1NC1CCNC2(CCC2)C1.
What is the InChIKey of N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine?
The InChIKey is XMPJDRZZYVBGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N3/c15-9-6-11(14(16,17)18)12(19-8-9)21-10-2-5-20-13(7-10)3-1-4-13/h6,8,10,20H,1-5,7H2,(H,19,21).
What are the key properties of N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine?
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine has a molecular weight of 364.21 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 106796498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).