N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine

C9H13F2N3 — CID 103759753

IUPACN-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
SMILESCCCNC(c1cnccn1)C(F)F
InChIInChI=1S/C9H13F2N3/c1-2-3-14-8(9(10)11)7-6-12-4-5-13-7/h4-6,8-9,14H,2-3H2,1H3
InChIKeyNHJOYVSGFGKYOL-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.78
Rot. Bonds5

About N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine

N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine (PubChem CID 103759753) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
PubChem CID103759753
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC NameN-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
SMILESCCCNC(c1cnccn1)C(F)F
InChIInChI=1S/C9H13F2N3/c1-2-3-14-8(9(10)11)7-6-12-4-5-13-7/h4-6,8-9,14H,2-3H2,1H3
InChIKeyNHJOYVSGFGKYOL-UHFFFAOYSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine?
The IUPAC name of N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine (CID 103759753) is N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine?
The canonical SMILES for N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine is CCCNC(c1cnccn1)C(F)F.
What is the InChIKey of N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine?
The InChIKey is NHJOYVSGFGKYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-2-3-14-8(9(10)11)7-6-12-4-5-13-7/h4-6,8-9,14H,2-3H2,1H3.
What are the key properties of N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine?
N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 103759753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).