1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine

C15H24FN3 — CID 83126507

IUPAC1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
SMILESCC1CCCN(CCC(N)c2ccc(F)cn2)CC1
InChIInChI=1S/C15H24FN3/c1-12-3-2-8-19(9-6-12)10-7-14(17)15-5-4-13(16)11-18-15/h4-5,11-12,14H,2-3,6-10,17H2,1H3
InChIKeyVFLYLZQJZQUKEQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.73
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine

1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine (PubChem CID 83126507) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
PubChem CID83126507
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
SMILESCC1CCCN(CCC(N)c2ccc(F)cn2)CC1
InChIInChI=1S/C15H24FN3/c1-12-3-2-8-19(9-6-12)10-7-14(17)15-5-4-13(16)11-18-15/h4-5,11-12,14H,2-3,6-10,17H2,1H3
InChIKeyVFLYLZQJZQUKEQ-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 83126705
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 83126482
[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol
CID 83126773
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355
1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 83125999
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-amine
CID 83126722
1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596815
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine (CID 83126507) is 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine is CC1CCCN(CCC(N)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine?
The InChIKey is VFLYLZQJZQUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12-3-2-8-19(9-6-12)10-7-14(17)15-5-4-13(16)11-18-15/h4-5,11-12,14H,2-3,6-10,17H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine?
1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 2.73, 4 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)-3-(4-methylazepan-1-yl)propan-1-amine is sourced from PubChem (CID 83126507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).