N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine

C13H18FN3 — CID 62734377

IUPACN-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESFc1cccnc1N1CCCC1CNC1CC1
InChIInChI=1S/C13H18FN3/c14-12-4-1-7-15-13(12)17-8-2-3-11(17)9-16-10-5-6-10/h1,4,7,10-11,16H,2-3,5-6,8-9H2
InChIKeyRUICUATVDWRMPA-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.94
Rot. Bonds4

About N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine

N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 62734377) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID62734377
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC NameN-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESFc1cccnc1N1CCCC1CNC1CC1
InChIInChI=1S/C13H18FN3/c14-12-4-1-7-15-13(12)17-8-2-3-11(17)9-16-10-5-6-10/h1,4,7,10-11,16H,2-3,5-6,8-9H2
InChIKeyRUICUATVDWRMPA-UHFFFAOYSA-N
XLogP1.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine (CID 62734377) is N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine is Fc1cccnc1N1CCCC1CNC1CC1.
What is the InChIKey of N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is RUICUATVDWRMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c14-12-4-1-7-15-13(12)17-8-2-3-11(17)9-16-10-5-6-10/h1,4,7,10-11,16H,2-3,5-6,8-9H2.
What are the key properties of N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 235.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62734377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).