N-octyl-6-(trifluoromethyl)pyridin-2-amine

C14H21F3N2 — CID 115568965

IUPACN-octyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCCCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-11-18-13-10-8-9-12(19-13)14(15,16)17/h8-10H,2-7,11H2,1H3,(H,18,19)
InChIKeyJQCUIMCHQIMGGT-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.87
Rot. Bonds8

About N-octyl-6-(trifluoromethyl)pyridin-2-amine

N-octyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 115568965) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-octyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-octyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID115568965
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-octyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCCCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-11-18-13-10-8-9-12(19-13)14(15,16)17/h8-10H,2-7,11H2,1H3,(H,18,19)
InChIKeyJQCUIMCHQIMGGT-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.87
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

2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64529648
6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine
CID 2726000
2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 68731806
1-[6-(pentylamino)-2-pyridinyl]ethanone
CID 68551808
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
CID 114145631
1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 103875643
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
N-dodecylquinolin-2-amine
CID 160510159
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840

Frequently Asked Questions

What is the IUPAC name of N-octyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-octyl-6-(trifluoromethyl)pyridin-2-amine (CID 115568965) is N-octyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-octyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-octyl-6-(trifluoromethyl)pyridin-2-amine is CCCCCCCCNc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-octyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JQCUIMCHQIMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-11-18-13-10-8-9-12(19-13)14(15,16)17/h8-10H,2-7,11H2,1H3,(H,18,19).
What are the key properties of N-octyl-6-(trifluoromethyl)pyridin-2-amine?
N-octyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115568965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).