N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C14H22FN3 — CID 114254543

IUPACN-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2cncc(F)c2)C1
InChIInChI=1S/C14H22FN3/c1-14(2,3)17-7-11-4-5-18(10-11)13-6-12(15)8-16-9-13/h6,8-9,11,17H,4-5,7,10H2,1-3H3
InChIKeyRFJSDBBSYMZOMI-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.44
Rot. Bonds3

About N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114254543) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID114254543
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2cncc(F)c2)C1
InChIInChI=1S/C14H22FN3/c1-14(2,3)17-7-11-4-5-18(10-11)13-6-12(15)8-16-9-13/h6,8-9,11,17H,4-5,7,10H2,1-3H3
InChIKeyRFJSDBBSYMZOMI-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 114254543) is N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(c2cncc(F)c2)C1.
What is the InChIKey of N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RFJSDBBSYMZOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-14(2,3)17-7-11-4-5-18(10-11)13-6-12(15)8-16-9-13/h6,8-9,11,17H,4-5,7,10H2,1-3H3.
What are the key properties of N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114254543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).