2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine

C15H24F3N3 — CID 171924551

IUPAC2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCC1CCCN1.CCC[C@@H](N)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2.C5H11N/c1-2-3-8(14)7-4-5-9(15-6-7)10(11,12)13;1-5-3-2-4-6-5/h4-6,8H,2-3,14H2,1H3;5-6H,2-4H2,1H3/t8-;/m1./s1
InChIKeyDIGSFSREBUYPBK-DDWIOCJRSA-N
MW303.37 g/mol
LogP3.66
Rot. Bonds3

About 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine

2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine (PubChem CID 171924551) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine
PubChem CID171924551
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCC1CCCN1.CCC[C@@H](N)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2.C5H11N/c1-2-3-8(14)7-4-5-9(15-6-7)10(11,12)13;1-5-3-2-4-6-5/h4-6,8H,2-3,14H2,1H3;5-6H,2-4H2,1H3/t8-;/m1./s1
InChIKeyDIGSFSREBUYPBK-DDWIOCJRSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
(R)-cyclobutyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 131617270
cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride
CID 66871394
5-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)pyridine
CID 97289984
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
3-(2-methylpropyl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,4-diazepane
CID 82794456
[5-[(1R)-1-aminobutyl]-2-pyridinyl]methanol
CID 55276847
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine
CID 142219929

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine (CID 171924551) is 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine is CC1CCCN1.CCC[C@@H](N)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The InChIKey is DIGSFSREBUYPBK-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H13F3N2.C5H11N/c1-2-3-8(14)7-4-5-9(15-6-7)10(11,12)13;1-5-3-2-4-6-5/h4-6,8H,2-3,14H2,1H3;5-6H,2-4H2,1H3/t8-;/m1./s1.
What are the key properties of 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 171924551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).