(1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine

C9H15F3N2 — CID 137360448

IUPAC(1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCN(CC(F)(F)F)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C9H15F3N2/c1-2-14(5-9(10,11)12)8-6-3-13-4-7(6)8/h6-8,13H,2-5H2,1H3/t6-,7+,8?
InChIKeyJSLTWGSOMRLVBY-DHBOJHSNSA-N
MW208.23 g/mol
LogP1.09
Rot. Bonds3

About (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine

(1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 137360448) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID137360448
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name(1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCN(CC(F)(F)F)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C9H15F3N2/c1-2-14(5-9(10,11)12)8-6-3-13-4-7(6)8/h6-8,13H,2-5H2,1H3/t6-,7+,8?
InChIKeyJSLTWGSOMRLVBY-DHBOJHSNSA-N
XLogP1.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Related Compounds

3-Azabicyclo[3.1.0]hexan-6-amine
CID 4583497
1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 171359672
6,6-Difluoro-2-azabicyclo[3.1.0]hexane
CID 47003585
4-(3,3-Difluoropyrrolidin-1-yl)piperidine
CID 53488020
exo-N,N-Dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 55287826
4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine
CID 66570745
2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
CID 66774983
N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
CID 66775078
2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
CID 66775934
N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine
CID 66776214
4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67812709
4,4-Difluoro-2-azabicyclo[3.1.0]hexane
CID 68352878

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 137360448) is (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine is CCN(CC(F)(F)F)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is JSLTWGSOMRLVBY-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-2-14(5-9(10,11)12)8-6-3-13-4-7(6)8/h6-8,13H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine?
(1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 208.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 137360448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).