N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine

C13H23F3N2 — CID 62554565

IUPACN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCN1CCCC1C1CCCC1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)10-17-7-9-18-8-3-6-12(18)11-4-1-2-5-11/h11-12,17H,1-10H2
InChIKeyGVDMAIWYGNGMQT-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62554565) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62554565
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCN1CCCC1C1CCCC1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)10-17-7-9-18-8-3-6-12(18)11-4-1-2-5-11/h11-12,17H,1-10H2
InChIKeyGVDMAIWYGNGMQT-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]propan-1-amine
CID 61387310
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62575268
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 102728652
2-(2-cyclopentylpyrrolidin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 62553906
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylethanamine
CID 65320984
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
CID 79842524
2,2,2-trifluoro-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]ethanamine
CID 79935382
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylpropan-1-amine
CID 55070651
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 63503409
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102728580
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 65322248
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 102728609

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 62554565) is N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCN1CCCC1C1CCCC1.
What is the InChIKey of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is GVDMAIWYGNGMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c14-13(15,16)10-17-7-9-18-8-3-6-12(18)11-4-1-2-5-11/h11-12,17H,1-10H2.
What are the key properties of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62554565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).