N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine

C10H19F3N2 — CID 63227216

IUPACN-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-2-14-7-9-3-5-15(8-9)6-4-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyPEPGEEDBCLNDDL-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds5

About N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 63227216) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID63227216
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-2-14-7-9-3-5-15(8-9)6-4-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyPEPGEEDBCLNDDL-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79354793
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
3-(2-bromoethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 114800427
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
N-[2-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopentanamine
CID 63318531
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164
N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63897637
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
CID 115514231

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine (CID 63227216) is N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(CCC(F)(F)F)C1.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is PEPGEEDBCLNDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-14-7-9-3-5-15(8-9)6-4-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 224.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63227216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).