1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine

C16H26FN3 — CID 115941126

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1ccc(F)cn1)C(C)CN1CCCC1
InChIInChI=1S/C16H26FN3/c1-3-8-18-16(15-7-6-14(17)11-19-15)13(2)12-20-9-4-5-10-20/h6-7,11,13,16,18H,3-5,8-10,12H2,1-2H3
InChIKeyYBJNDGHWRQCMCU-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.99
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine

1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 115941126) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID115941126
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1ccc(F)cn1)C(C)CN1CCCC1
InChIInChI=1S/C16H26FN3/c1-3-8-18-16(15-7-6-14(17)11-19-15)13(2)12-20-9-4-5-10-20/h6-7,11,13,16,18H,3-5,8-10,12H2,1-2H3
InChIKeyYBJNDGHWRQCMCU-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 115941378
3-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941444
1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 112586259
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine
CID 83126704
[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 115967196
5-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61474336
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
CID 112586268
2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine
CID 83129735
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine (CID 115941126) is 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine is CCCNC(c1ccc(F)cn1)C(C)CN1CCCC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is YBJNDGHWRQCMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-8-18-16(15-7-6-14(17)11-19-15)13(2)12-20-9-4-5-10-20/h6-7,11,13,16,18H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 115941126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).