(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine

C8H17FN2 — CID 59526805

IUPAC(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CC(F)C(CN)C1
InChIInChI=1S/C8H17FN2/c1-6(2)11-4-7(3-10)8(9)5-11/h6-8H,3-5,10H2,1-2H3
InChIKeyGPRUDIPYVAJDOD-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.62
Rot. Bonds2

About (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine

(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 59526805) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID59526805
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CC(F)C(CN)C1
InChIInChI=1S/C8H17FN2/c1-6(2)11-4-7(3-10)8(9)5-11/h6-8H,3-5,10H2,1-2H3
InChIKeyGPRUDIPYVAJDOD-UHFFFAOYSA-N
XLogP0.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 59526805) is (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine is CC(C)N1CC(F)C(CN)C1.
What is the InChIKey of (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is GPRUDIPYVAJDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-6(2)11-4-7(3-10)8(9)5-11/h6-8H,3-5,10H2,1-2H3.
What are the key properties of (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine?
(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 160.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 59526805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).