5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine

C15H17F3N2 — CID 115491467

IUPAC5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCc1ccnc2ccccc12
InChIInChI=1S/C15H17F3N2/c16-15(17,18)8-3-4-9-19-11-12-7-10-20-14-6-2-1-5-13(12)14/h1-2,5-7,10,19H,3-4,8-9,11H2
InChIKeyPYLTYDJLJNXJPD-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.06
Rot. Bonds6

About 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine

5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine (PubChem CID 115491467) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
PubChem CID115491467
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCc1ccnc2ccccc12
InChIInChI=1S/C15H17F3N2/c16-15(17,18)8-3-4-9-19-11-12-7-10-20-14-6-2-1-5-13(12)14/h1-2,5-7,10,19H,3-4,8-9,11H2
InChIKeyPYLTYDJLJNXJPD-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.06
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-(quinolin-4-ylmethyl)hex-5-yn-1-amine
CID 113256049
2-[(5,5,5-trifluoropentylamino)methyl]phenol
CID 115491381
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
CID 114171251
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
2-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327123
2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
CID 63867946
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850211
N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
CID 90798639
2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine
CID 115520378

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine (CID 115491467) is 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine is FC(F)(F)CCCCNCc1ccnc2ccccc12.
What is the InChIKey of 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine?
The InChIKey is PYLTYDJLJNXJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c16-15(17,18)8-3-4-9-19-11-12-7-10-20-14-6-2-1-5-13(12)14/h1-2,5-7,10,19H,3-4,8-9,11H2.
What are the key properties of 5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine?
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine has a molecular weight of 282.31 g/mol, XLogP of 4.06, 6 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-(quinolin-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 115491467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).