2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C11H19F3N2O — CID 103366448

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNCC(CN1CC2CCC(O)C2C1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8(3-15)5-16-4-7-1-2-10(17)9(7)6-16/h7-10,17H,1-6,15H2
InChIKeyOBPLKADWSCEEHC-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.83
Rot. Bonds3

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103366448) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103366448
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNCC(CN1CC2CCC(O)C2C1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8(3-15)5-16-4-7-1-2-10(17)9(7)6-16/h7-10,17H,1-6,15H2
InChIKeyOBPLKADWSCEEHC-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol
CID 103366429
2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399564
2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol
CID 103366158
2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399560
2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366077
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-4-ol
CID 103366417
2-[(2-methyltetrazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 107052579
1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
CID 104751072
N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
CID 113399250
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366406
(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 131043306
3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine
CID 103366312

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103366448) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is NCC(CN1CC2CCC(O)C2C1)C(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is OBPLKADWSCEEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8(3-15)5-16-4-7-1-2-10(17)9(7)6-16/h7-10,17H,1-6,15H2.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 252.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103366448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).