trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine

C12H15F3N2 — CID 125470676

IUPACtrans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-17-10(7-9)6-8-2-1-3-11(8)16/h4-5,7-8,11H,1-3,6,16H2/t8-,11-/m1/s1
InChIKeyGZQVXLJANWJQBN-LDYMZIIASA-N
MW244.26 g/mol
LogP2.77
Rot. Bonds2

About trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine

trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine (PubChem CID 125470676) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine
PubChem CID125470676
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Nametrans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-17-10(7-9)6-8-2-1-3-11(8)16/h4-5,7-8,11H,1-3,6,16H2/t8-,11-/m1/s1
InChIKeyGZQVXLJANWJQBN-LDYMZIIASA-N
XLogP2.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
2-[[(3S,4S)-4-phenylpyrrolidin-3-yl]methyl]-4-(trifluoromethyl)pyridine
CID 124677140
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 121232314
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330690
2-cyclopentyl-4-(trifluoromethyl)pyridine
CID 144787930
2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 175935780
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 66330875
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine
CID 124518140
(3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 124677286

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine (CID 125470676) is trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine is N[C@@H]1CCC[C@@H]1Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine?
The InChIKey is GZQVXLJANWJQBN-LDYMZIIASA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-17-10(7-9)6-8-2-1-3-11(8)16/h4-5,7-8,11H,1-3,6,16H2/t8-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine?
trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine has a molecular weight of 244.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 125470676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).