N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

C12H17F3N2 — CID 104828787

IUPACN-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncccc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H17F3N2/c1-8(11(2,3)4)17-10-9(12(13,14)15)6-5-7-16-10/h5-8H,1-4H3,(H,16,17)
InChIKeyXCSNRIPUTFVZQR-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.95
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 104828787) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID104828787
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncccc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H17F3N2/c1-8(11(2,3)4)17-10-9(12(13,14)15)6-5-7-16-10/h5-8H,1-4H3,(H,16,17)
InChIKeyXCSNRIPUTFVZQR-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 104828787) is N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is CC(Nc1ncccc1C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XCSNRIPUTFVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8(11(2,3)4)17-10-9(12(13,14)15)6-5-7-16-10/h5-8H,1-4H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 246.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 104828787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).