1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine

C10H15F2N3 — CID 80604475

IUPAC1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine
SMILESCCCNC(C)(c1cnccn1)C(F)F
InChIInChI=1S/C10H15F2N3/c1-3-4-15-10(2,9(11)12)8-7-13-5-6-14-8/h5-7,9,15H,3-4H2,1-2H3
InChIKeyPJSLELYCQKKPQK-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.96
Rot. Bonds5

About 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine

1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine (PubChem CID 80604475) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine
PubChem CID80604475
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine
SMILESCCCNC(C)(c1cnccn1)C(F)F
InChIInChI=1S/C10H15F2N3/c1-3-4-15-10(2,9(11)12)8-7-13-5-6-14-8/h5-7,9,15H,3-4H2,1-2H3
InChIKeyPJSLELYCQKKPQK-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl[1-(pyrazin-2-yl)ethyl]amine
CID 60818558
2-Methyl-2-(pyrazin-2-yl)propan-1-amine
CID 45598105
Methyl(2-(pyrazin-2-yl)ethyl)amine
CID 57825667
(1S)-1-(pyrazin-2-yl)ethan-1-amine dihydrochloride
CID 122163883
(1R)-1-(pyrazin-2-yl)ethan-1-amine dihydrochloride
CID 122360145
1-(Pyrazin-2-yl)ethan-1-amine dihydrochloride
CID 132342231
1-(Pyrazin-2-yl)ethanamine
CID 18519006
N'-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]ethane-1,2-diamine
CID 21698488
2-Tert-butyl-5-(trifluoromethyl)pyrazine
CID 58088206
2-Tert-butyl-6-(1,1-difluoroethyl)pyrazine
CID 58305869
2-Propan-2-yl-5-(trifluoromethyl)pyrazine
CID 58431335
2-Propan-2-yl-6-(trifluoromethyl)pyrazine
CID 58431360

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine?
The IUPAC name of 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine (CID 80604475) is 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine is CCCNC(C)(c1cnccn1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine?
The InChIKey is PJSLELYCQKKPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-3-4-15-10(2,9(11)12)8-7-13-5-6-14-8/h5-7,9,15H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine?
1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine has a molecular weight of 215.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-propyl-2-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 80604475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).