(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine

C13H20F3N — CID 164984309

IUPAC(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C13H20F3N/c1-8(2)9(3)17-10(4)11-5-12(6-11,7-11)13(14,15)16/h8-9,17H,4-7H2,1-3H3/t9-,11?,12?/m1/s1
InChIKeyOTGPVAJNXGUSKB-OIKLOGQESA-N
MW247.30 g/mol
LogP3.87
Rot. Bonds4

About (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine

(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine (PubChem CID 164984309) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine
PubChem CID164984309
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C13H20F3N/c1-8(2)9(3)17-10(4)11-5-12(6-11,7-11)13(14,15)16/h8-9,17H,4-7H2,1-3H3/t9-,11?,12?/m1/s1
InChIKeyOTGPVAJNXGUSKB-OIKLOGQESA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine with MolForge

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Related Compounds

(4R,5S)-2-N-(2,2-dimethylpropyl)-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185610
N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
CID 164556248
N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine
CID 171516200
N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine
CID 156816420
(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine
CID 164973242
(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
CID 164977829
(2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine
CID 165048192
2,2-difluoro-N-[1-(3-methylcyclobutyl)ethenyl]propan-1-amine
CID 178671296
5-methyl-N-[(1-methylcyclobutyl)methyl]hex-1-en-2-amine
CID 156039351
N-[1-(1-methylcyclobutyl)ethenyl]propan-2-amine
CID 156229765
ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine
CID 171550133
(2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
CID 164973238

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine (CID 164984309) is (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine is C=C(N[C@H](C)C(C)C)C12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine?
The InChIKey is OTGPVAJNXGUSKB-OIKLOGQESA-N. The full InChI is InChI=1S/C13H20F3N/c1-8(2)9(3)17-10(4)11-5-12(6-11,7-11)13(14,15)16/h8-9,17H,4-7H2,1-3H3/t9-,11?,12?/m1/s1.
What are the key properties of (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine?
(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine has a molecular weight of 247.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine is sourced from PubChem (CID 164984309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).