3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine

C13H25F3N2 — CID 114271797

IUPAC3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine
SMILESCCCNC(CN1CCC(C(F)(F)F)C1)C(C)C
InChIInChI=1S/C13H25F3N2/c1-4-6-17-12(10(2)3)9-18-7-5-11(8-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyLSJFHWAWBHRZJA-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.89
Rot. Bonds6

About 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine

3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine (PubChem CID 114271797) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine
PubChem CID114271797
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine
SMILESCCCNC(CN1CCC(C(F)(F)F)C1)C(C)C
InChIInChI=1S/C13H25F3N2/c1-4-6-17-12(10(2)3)9-18-7-5-11(8-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyLSJFHWAWBHRZJA-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992954
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
7-cyclopentyl-2-methyl-N-propylheptan-3-amine
CID 114192944
4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 113440626
1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine
CID 114193190
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 96745643

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine?
The IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine (CID 114271797) is 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine is CCCNC(CN1CCC(C(F)(F)F)C1)C(C)C.
What is the InChIKey of 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine?
The InChIKey is LSJFHWAWBHRZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-6-17-12(10(2)3)9-18-7-5-11(8-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine?
3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine has a molecular weight of 266.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine is sourced from PubChem (CID 114271797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).