2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine

C11H16F3N3 — CID 167220756

IUPAC2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3/c1-7(2)4-15-8(3)9-5-17-10(6-16-9)11(12,13)14/h5-8,15H,4H2,1-3H3
InChIKeyBDZLGEAARLEXBT-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.80
Rot. Bonds4

About 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine

2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine (PubChem CID 167220756) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine
PubChem CID167220756
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3/c1-7(2)4-15-8(3)9-5-17-10(6-16-9)11(12,13)14/h5-8,15H,4H2,1-3H3
InChIKeyBDZLGEAARLEXBT-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine (CID 167220756) is 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine is CC(C)CNC(C)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine?
The InChIKey is BDZLGEAARLEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)4-15-8(3)9-5-17-10(6-16-9)11(12,13)14/h5-8,15H,4H2,1-3H3.
What are the key properties of 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine?
2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 167220756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).