4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine

C10H14F3N3 — CID 81343203

IUPAC4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
SMILESCC(NCCCC(F)(F)F)c1cnccn1
InChIInChI=1S/C10H14F3N3/c1-8(9-7-14-5-6-16-9)15-4-2-3-10(11,12)13/h5-8,15H,2-4H2,1H3
InChIKeyQJGFFYULWVBBFM-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.47
Rot. Bonds5

About 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine

4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine (PubChem CID 81343203) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
PubChem CID81343203
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
SMILESCC(NCCCC(F)(F)F)c1cnccn1
InChIInChI=1S/C10H14F3N3/c1-8(9-7-14-5-6-16-9)15-4-2-3-10(11,12)13/h5-8,15H,2-4H2,1H3
InChIKeyQJGFFYULWVBBFM-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
CID 115891455
5-methyl-N-(1-pyrazin-2-ylethyl)hexan-1-amine
CID 81338055
1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
N-(2-cyclobutylethyl)-1-pyrazin-2-ylethanamine
CID 115893473
1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 103787955
ethyl 4-(1-pyrazin-2-ylethylamino)butanoate
CID 64580462
3-methylsulfinyl-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 115894563
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine
CID 97066688
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine
CID 79552239

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine (CID 81343203) is 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine is CC(NCCCC(F)(F)F)c1cnccn1.
What is the InChIKey of 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine?
The InChIKey is QJGFFYULWVBBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-8(9-7-14-5-6-16-9)15-4-2-3-10(11,12)13/h5-8,15H,2-4H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine?
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine is sourced from PubChem (CID 81343203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).