4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine

C13H19F3N2 — CID 64566396

IUPAC4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ncccc1C
InChIInChI=1S/C13H19F3N2/c1-3-8-17-11(6-7-13(14,15)16)12-10(2)5-4-9-18-12/h4-5,9,11,17H,3,6-8H2,1-2H3
InChIKeyJAHKYOXFPAQKRF-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.77
Rot. Bonds6

About 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine (PubChem CID 64566396) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
PubChem CID64566396
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ncccc1C
InChIInChI=1S/C13H19F3N2/c1-3-8-17-11(6-7-13(14,15)16)12-10(2)5-4-9-18-12/h4-5,9,11,17H,3,6-8H2,1-2H3
InChIKeyJAHKYOXFPAQKRF-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 65095907
N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62604509
N-[2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048562
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62603776
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
N-[1-(3-methyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107048847
4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
CID 105156277
N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
CID 105156337

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine (CID 64566396) is 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1ncccc1C.
What is the InChIKey of 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is JAHKYOXFPAQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-8-17-11(6-7-13(14,15)16)12-10(2)5-4-9-18-12/h4-5,9,11,17H,3,6-8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 260.30 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 64566396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).