4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine

C11H15F3N2 — CID 102880995

IUPAC4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
SMILESCc1cncc(CNCCCC(F)(F)F)c1
InChIInChI=1S/C11H15F3N2/c1-9-5-10(8-16-6-9)7-15-4-2-3-11(12,13)14/h5-6,8,15H,2-4,7H2,1H3
InChIKeyDSYPMLIVAVTSNU-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.82
Rot. Bonds5

About 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine

4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine (PubChem CID 102880995) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
PubChem CID102880995
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
SMILESCc1cncc(CNCCCC(F)(F)F)c1
InChIInChI=1S/C11H15F3N2/c1-9-5-10(8-16-6-9)7-15-4-2-3-11(12,13)14/h5-6,8,15H,2-4,7H2,1H3
InChIKeyDSYPMLIVAVTSNU-UHFFFAOYSA-N
XLogP2.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
N-[(5-methyl-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 102881076
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
4,4,4-trifluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butan-1-amine
CID 115513642
5-chloro-2,2-dimethyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106140789
N-[(4-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79038802
N-[(5-methyl-3-pyridinyl)methyl]formamide
CID 142430826
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 102880807

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine (CID 102880995) is 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine is Cc1cncc(CNCCCC(F)(F)F)c1.
What is the InChIKey of 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine?
The InChIKey is DSYPMLIVAVTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-9-5-10(8-16-6-9)7-15-4-2-3-11(12,13)14/h5-6,8,15H,2-4,7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine?
4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine has a molecular weight of 232.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 102880995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).