1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane

C15H27F3N2O — CID 167482173

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane
SMILESCC(C)C.O=C(CNCC(F)(F)F)N1CC2CCCC2C1
InChIInChI=1S/C11H17F3N2O.C4H10/c12-11(13,14)7-15-4-10(17)16-5-8-2-1-3-9(8)6-16;1-4(2)3/h8-9,15H,1-7H2;4H,1-3H3
InChIKeyDAQLGLASZAGSMO-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.06
Rot. Bonds3

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane (PubChem CID 167482173) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane
PubChem CID167482173
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane
SMILESCC(C)C.O=C(CNCC(F)(F)F)N1CC2CCCC2C1
InChIInChI=1S/C11H17F3N2O.C4H10/c12-11(13,14)7-15-4-10(17)16-5-8-2-1-3-9(8)6-16;1-4(2)3/h8-9,15H,1-7H2;4H,1-3H3
InChIKeyDAQLGLASZAGSMO-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane (CID 167482173) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane is CC(C)C.O=C(CNCC(F)(F)F)N1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane?
The InChIKey is DAQLGLASZAGSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O.C4H10/c12-11(13,14)7-15-4-10(17)16-5-8-2-1-3-9(8)6-16;1-4(2)3/h8-9,15H,1-7H2;4H,1-3H3.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane has a molecular weight of 308.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane is sourced from PubChem (CID 167482173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).