N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H26FN3 — CID 105388710

IUPACN-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCN1c1nccc(CNCC(C)C)c1F
InChIInChI=1S/C16H26FN3/c1-4-14-6-5-9-20(14)16-15(17)13(7-8-19-16)11-18-10-12(2)3/h7-8,12,14,18H,4-6,9-11H2,1-3H3
InChIKeyKBIGIKZTHNJIQK-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.35
Rot. Bonds6

About N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105388710) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105388710
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCN1c1nccc(CNCC(C)C)c1F
InChIInChI=1S/C16H26FN3/c1-4-14-6-5-9-20(14)16-15(17)13(7-8-19-16)11-18-10-12(2)3/h7-8,12,14,18H,4-6,9-11H2,1-3H3
InChIKeyKBIGIKZTHNJIQK-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105388710) is N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine is CCC1CCCN1c1nccc(CNCC(C)C)c1F.
What is the InChIKey of N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is KBIGIKZTHNJIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-4-14-6-5-9-20(14)16-15(17)13(7-8-19-16)11-18-10-12(2)3/h7-8,12,14,18H,4-6,9-11H2,1-3H3.
What are the key properties of N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105388710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).