N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine

C10H16FN3 — CID 107446693

IUPACN-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)c1cnccn1
InChIInChI=1S/C10H16FN3/c1-10(2,3)14-6-8(11)9-7-12-4-5-13-9/h4-5,7-8,14H,6H2,1-3H3
InChIKeyQTFUDDMYKFYNPB-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.88
Rot. Bonds3

About N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine

N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine (PubChem CID 107446693) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine
PubChem CID107446693
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC NameN-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)c1cnccn1
InChIInChI=1S/C10H16FN3/c1-10(2,3)14-6-8(11)9-7-12-4-5-13-9/h4-5,7-8,14H,6H2,1-3H3
InChIKeyQTFUDDMYKFYNPB-UHFFFAOYSA-N
XLogP1.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine (CID 107446693) is N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine is CC(C)(C)NCC(F)c1cnccn1.
What is the InChIKey of N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine?
The InChIKey is QTFUDDMYKFYNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-10(2,3)14-6-8(11)9-7-12-4-5-13-9/h4-5,7-8,14H,6H2,1-3H3.
What are the key properties of N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine?
N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine has a molecular weight of 197.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-pyrazin-2-ylethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 107446693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).