N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine

C12H17F3N2 — CID 166688473

IUPACN-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCC(C)c1ccc(NC)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-4-5-8(2)9-6-7-10(16-3)17-11(9)12(13,14)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyZSDRTSPRYVVQOJ-UHFFFAOYSA-N
MW246.28 g/mol
LogP4.05
Rot. Bonds4

About N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine

N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 166688473) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID166688473
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCC(C)c1ccc(NC)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-4-5-8(2)9-6-7-10(16-3)17-11(9)12(13,14)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyZSDRTSPRYVVQOJ-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine (CID 166688473) is N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine is CCCC(C)c1ccc(NC)nc1C(F)(F)F.
What is the InChIKey of N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZSDRTSPRYVVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-4-5-8(2)9-6-7-10(16-3)17-11(9)12(13,14)15/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 246.28 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 166688473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).