5-(2-fluoropyrrolidin-3-yl)pentan-1-amine

C9H19FN2 — CID 54136001

IUPAC5-(2-fluoropyrrolidin-3-yl)pentan-1-amine
SMILESNCCCCCC1CCNC1F
InChIInChI=1S/C9H19FN2/c10-9-8(5-7-12-9)4-2-1-3-6-11/h8-9,12H,1-7,11H2
InChIKeyKOVGPLVSQDSDNP-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.41
Rot. Bonds5

About 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine

5-(2-fluoropyrrolidin-3-yl)pentan-1-amine (PubChem CID 54136001) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-fluoropyrrolidin-3-yl)pentan-1-amine
PubChem CID54136001
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name5-(2-fluoropyrrolidin-3-yl)pentan-1-amine
SMILESNCCCCCC1CCNC1F
InChIInChI=1S/C9H19FN2/c10-9-8(5-7-12-9)4-2-1-3-6-11/h8-9,12H,1-7,11H2
InChIKeyKOVGPLVSQDSDNP-UHFFFAOYSA-N
XLogP1.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine?
The IUPAC name of 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine (CID 54136001) is 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine?
The canonical SMILES for 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine is NCCCCCC1CCNC1F.
What is the InChIKey of 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine?
The InChIKey is KOVGPLVSQDSDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c10-9-8(5-7-12-9)4-2-1-3-6-11/h8-9,12H,1-7,11H2.
What are the key properties of 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine?
5-(2-fluoropyrrolidin-3-yl)pentan-1-amine has a molecular weight of 174.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropyrrolidin-3-yl)pentan-1-amine is sourced from PubChem (CID 54136001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).