1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

C15H25FN4 — CID 105389828

IUPAC1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCCNCc1ccnc(N2CCC(N(C)C)C2)c1F
InChIInChI=1S/C15H25FN4/c1-4-7-17-10-12-5-8-18-15(14(12)16)20-9-6-13(11-20)19(2)3/h5,8,13,17H,4,6-7,9-11H2,1-3H3
InChIKeyHSBXFKOEUCDVBN-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.86
Rot. Bonds6

About 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 105389828) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID105389828
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCCNCc1ccnc(N2CCC(N(C)C)C2)c1F
InChIInChI=1S/C15H25FN4/c1-4-7-17-10-12-5-8-18-15(14(12)16)20-9-6-13(11-20)19(2)3/h5,8,13,17H,4,6-7,9-11H2,1-3H3
InChIKeyHSBXFKOEUCDVBN-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 105390071
N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105390385
1-[4-[(cyclopropylamino)methyl]-3-fluoro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389831
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389675
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390138
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 102967782
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390520
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388708
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388688
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (CID 105389828) is 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is CCCNCc1ccnc(N2CCC(N(C)C)C2)c1F.
What is the InChIKey of 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is HSBXFKOEUCDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-4-7-17-10-12-5-8-18-15(14(12)16)20-9-6-13(11-20)19(2)3/h5,8,13,17H,4,6-7,9-11H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 280.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 105389828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).