N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine

C14H18F3N3 — CID 62592511

IUPACN-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(N2CCCC2CNC2CC2)n1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)12-4-1-5-13(19-12)20-8-2-3-11(20)9-18-10-6-7-10/h1,4-5,10-11,18H,2-3,6-9H2
InChIKeyXANUQNNZOGPXBF-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.82
Rot. Bonds4

About N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine

N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 62592511) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID62592511
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC NameN-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(N2CCCC2CNC2CC2)n1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)12-4-1-5-13(19-12)20-8-2-3-11(20)9-18-10-6-7-10/h1,4-5,10-11,18H,2-3,6-9H2
InChIKeyXANUQNNZOGPXBF-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
CID 80668053
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine
CID 64585888
[1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133378686
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 107305944
N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62734377
4-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137007881
2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 80672529
N-[[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 112639097
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62734943
N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62591283

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine (CID 62592511) is N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine is FC(F)(F)c1cccc(N2CCCC2CNC2CC2)n1.
What is the InChIKey of N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is XANUQNNZOGPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c15-14(16,17)12-4-1-5-13(19-12)20-8-2-3-11(20)9-18-10-6-7-10/h1,4-5,10-11,18H,2-3,6-9H2.
What are the key properties of N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 285.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62592511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).