3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

C15H25FN4 — CID 83126722

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCN(C)CC1CCCN1CCC(N)c1ccc(F)cn1
InChIInChI=1S/C15H25FN4/c1-19(2)11-13-4-3-8-20(13)9-7-14(17)15-6-5-12(16)10-18-15/h5-6,10,13-14H,3-4,7-9,11,17H2,1-2H3
InChIKeyJYZAEORROGUWPE-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.64
Rot. Bonds6

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

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 83126722) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID83126722
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCN(C)CC1CCCN1CCC(N)c1ccc(F)cn1
InChIInChI=1S/C15H25FN4/c1-19(2)11-13-4-3-8-20(13)9-7-14(17)15-6-5-12(16)10-18-15/h5-6,10,13-14H,3-4,7-9,11,17H2,1-2H3
InChIKeyJYZAEORROGUWPE-UHFFFAOYSA-N
XLogP1.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 83126482
1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
CID 83126507
3-(2,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126303
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125772
1-(5-fluoro-2-pyridinyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 83126705
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
CID 62888334
[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol
CID 83126773
1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596815
[1-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]pyrrolidin-2-yl]methanol
CID 83126571
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 83126722) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is CN(C)CC1CCCN1CCC(N)c1ccc(F)cn1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is JYZAEORROGUWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-19(2)11-13-4-3-8-20(13)9-7-14(17)15-6-5-12(16)10-18-15/h5-6,10,13-14H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 83126722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).