2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine

C14H25F3N2 — CID 55164293

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCC2(CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-2-11(18)12(14(15,16)17)19-9-7-13(8-10-19)5-3-4-6-13/h11-12H,2-10,18H2,1H3
InChIKeyGXFNAGGSLVKDBB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.31
Rot. Bonds3

About 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine

2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine (PubChem CID 55164293) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine
PubChem CID55164293
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCC2(CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-2-11(18)12(14(15,16)17)19-9-7-13(8-10-19)5-3-4-6-13/h11-12H,2-10,18H2,1H3
InChIKeyGXFNAGGSLVKDBB-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine (CID 55164293) is 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(N1CCC2(CCCC2)CC1)C(F)(F)F.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is GXFNAGGSLVKDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-11(18)12(14(15,16)17)19-9-7-13(8-10-19)5-3-4-6-13/h11-12H,2-10,18H2,1H3.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine?
2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 55164293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).