2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine

C15H18F3N3 — CID 115520378

IUPAC2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine
SMILESNc1cc(CNCCCCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H18F3N3/c16-15(17,18)7-3-4-8-20-10-11-9-13(19)12-5-1-2-6-14(12)21-11/h1-2,5-6,9,20H,3-4,7-8,10H2,(H2,19,21)
InChIKeyGBJXNTVHAAPPLD-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.64
Rot. Bonds6

About 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine

2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine (PubChem CID 115520378) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine
PubChem CID115520378
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine
SMILESNc1cc(CNCCCCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H18F3N3/c16-15(17,18)7-3-4-8-20-10-11-9-13(19)12-5-1-2-6-14(12)21-11/h1-2,5-6,9,20H,3-4,7-8,10H2,(H2,19,21)
InChIKeyGBJXNTVHAAPPLD-UHFFFAOYSA-N
XLogP3.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070
2-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327123
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine
CID 115485883
2-fluoro-4-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327736
2-pentylquinolin-4-amine
CID 14082309
2-chloro-4-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 115520310
4-methyl-2-(4,4,4-trifluorobutyl)quinoline
CID 164668878
1-phenyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520442
2-[(cyclobutylamino)methyl]quinolin-4-amine
CID 115485862
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
CID 115485809

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine?
The IUPAC name of 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine (CID 115520378) is 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine is Nc1cc(CNCCCCC(F)(F)F)nc2ccccc12.
What is the InChIKey of 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine?
The InChIKey is GBJXNTVHAAPPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c16-15(17,18)7-3-4-8-20-10-11-9-13(19)12-5-1-2-6-14(12)21-11/h1-2,5-6,9,20H,3-4,7-8,10H2,(H2,19,21).
What are the key properties of 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine?
2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine has a molecular weight of 297.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine is sourced from PubChem (CID 115520378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).