(1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid

C15H23F3N2O3 — CID 90019527

IUPAC(1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)[C@@H]1C[C@H]2C[C@H]2N1)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N2O.C2HF3O2/c1-15(10-5-3-2-4-6-10)13(16)12-8-9-7-11(9)14-12;3-2(4,5)1(6)7/h9-12,14H,2-8H2,1H3;(H,6,7)/t9-,11-,12+;/m1./s1
InChIKeyMCOYRLOICQTRGG-GWFKABJVSA-N
MW336.35 g/mol
LogP2.16
Rot. Bonds2

About (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid

(1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 90019527) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID90019527
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name(1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)[C@@H]1C[C@H]2C[C@H]2N1)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N2O.C2HF3O2/c1-15(10-5-3-2-4-6-10)13(16)12-8-9-7-11(9)14-12;3-2(4,5)1(6)7/h9-12,14H,2-8H2,1H3;(H,6,7)/t9-,11-,12+;/m1./s1
InChIKeyMCOYRLOICQTRGG-GWFKABJVSA-N
XLogP2.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid (CID 90019527) is (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C(=O)[C@@H]1C[C@H]2C[C@H]2N1)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MCOYRLOICQTRGG-GWFKABJVSA-N. The full InChI is InChI=1S/C13H22N2O.C2HF3O2/c1-15(10-5-3-2-4-6-10)13(16)12-8-9-7-11(9)14-12;3-2(4,5)1(6)7/h9-12,14H,2-8H2,1H3;(H,6,7)/t9-,11-,12+;/m1./s1.
What are the key properties of (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid?
(1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 336.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-cyclohexyl-N-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90019527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).