N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine

C15H17F3N2 — CID 116534270

IUPACN-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine
SMILESCC(CCCC(F)(F)F)Nc1cccc2cnccc12
InChIInChI=1S/C15H17F3N2/c1-11(4-3-8-15(16,17)18)20-14-6-2-5-12-10-19-9-7-13(12)14/h2,5-7,9-11,20H,3-4,8H2,1H3
InChIKeyVNICUTVBESVBMA-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.77
Rot. Bonds5

About N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine

N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine (PubChem CID 116534270) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine
PubChem CID116534270
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine
SMILESCC(CCCC(F)(F)F)Nc1cccc2cnccc12
InChIInChI=1S/C15H17F3N2/c1-11(4-3-8-15(16,17)18)20-14-6-2-5-12-10-19-9-7-13(12)14/h2,5-7,9-11,20H,3-4,8H2,1H3
InChIKeyVNICUTVBESVBMA-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine
CID 116534255
N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine
CID 114828587
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534236
3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
CID 81413794
N-hexan-2-ylnaphthalen-1-amine
CID 43757471
5-[1-(isoquinolin-5-ylamino)ethyl]benzene-1,3-diol
CID 107705516
2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)benzoic acid
CID 116534463
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine
CID 115929357

Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine?
The IUPAC name of N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine (CID 116534270) is N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine?
The canonical SMILES for N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine is CC(CCCC(F)(F)F)Nc1cccc2cnccc12.
What is the InChIKey of N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine?
The InChIKey is VNICUTVBESVBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-11(4-3-8-15(16,17)18)20-14-6-2-5-12-10-19-9-7-13(12)14/h2,5-7,9-11,20H,3-4,8H2,1H3.
What are the key properties of N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine?
N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine has a molecular weight of 282.31 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine is sourced from PubChem (CID 116534270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).