N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C13H20F3N3O — CID 79955014

IUPACN-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(CCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C13H20F3N3O/c1-17-12(6-3-2-4-7-12)9-11-18-10(19-20-11)5-8-13(14,15)16/h17H,2-9H2,1H3
InChIKeyLAIZBCLHEGYPDK-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.03
Rot. Bonds5

About N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 79955014) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID79955014
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(CCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C13H20F3N3O/c1-17-12(6-3-2-4-7-12)9-11-18-10(19-20-11)5-8-13(14,15)16/h17H,2-9H2,1H3
InChIKeyLAIZBCLHEGYPDK-UHFFFAOYSA-N
XLogP3.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 170621539
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CID 176759369
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CID 176759376
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CID 55049231
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CID 55202432
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CID 55202623
CID 55202623

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 79955014) is N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CNC1(Cc2nc(CCC(F)(F)F)no2)CCCCC1.
What is the InChIKey of N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is LAIZBCLHEGYPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-17-12(6-3-2-4-7-12)9-11-18-10(19-20-11)5-8-13(14,15)16/h17H,2-9H2,1H3.
What are the key properties of N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79955014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).