N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

C10H17F3N2 — CID 61230699

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CC(F)(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C10H17F3N2/c1-15(6-10(11,12)13)9-4-7-2-3-8(5-9)14-7/h7-9,14H,2-6H2,1H3
InChIKeyLIBYDCWUSXGICD-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.76
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230699) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230699
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CC(F)(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C10H17F3N2/c1-15(6-10(11,12)13)9-4-7-2-3-8(5-9)14-7/h7-9,14H,2-6H2,1H3
InChIKeyLIBYDCWUSXGICD-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61230699) is N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine is CN(CC(F)(F)F)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LIBYDCWUSXGICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-15(6-10(11,12)13)9-4-7-2-3-8(5-9)14-7/h7-9,14H,2-6H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 222.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).