5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine

C13H19F3N2 — CID 64565788

IUPAC5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1cccnc1
InChIInChI=1S/C13H19F3N2/c1-2-7-18-12(5-6-13(14,15)16)9-11-4-3-8-17-10-11/h3-4,8,10,12,18H,2,5-7,9H2,1H3
InChIKeyBMUKGNMLRIUEFD-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.33
Rot. Bonds7

About 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine

5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine (PubChem CID 64565788) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
PubChem CID64565788
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1cccnc1
InChIInChI=1S/C13H19F3N2/c1-2-7-18-12(5-6-13(14,15)16)9-11-4-3-8-17-10-11/h3-4,8,10,12,18H,2,5-7,9H2,1H3
InChIKeyBMUKGNMLRIUEFD-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105180056
N-propyl-1-pyridin-3-ylnon-8-en-2-amine
CID 107009001
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine (CID 64565788) is 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1cccnc1.
What is the InChIKey of 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine?
The InChIKey is BMUKGNMLRIUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-2-7-18-12(5-6-13(14,15)16)9-11-4-3-8-17-10-11/h3-4,8,10,12,18H,2,5-7,9H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine?
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine has a molecular weight of 260.30 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine is sourced from PubChem (CID 64565788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).