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

C16H26FN3 — CID 104692034

IUPAC3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC1CCCCCN1CCC(N)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3/c1-2-14-6-4-3-5-10-20(14)11-9-15(18)16-8-7-13(17)12-19-16/h7-8,12,14-15H,2-6,9-11,18H2,1H3
InChIKeyFNZXVNDGELKPRN-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.27
Rot. Bonds5

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

3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 104692034) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID104692034
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC1CCCCCN1CCC(N)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3/c1-2-14-6-4-3-5-10-20(14)11-9-15(18)16-8-7-13(17)12-19-16/h7-8,12,14-15H,2-6,9-11,18H2,1H3
InChIKeyFNZXVNDGELKPRN-UHFFFAOYSA-N
XLogP3.27
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 83126482
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
2-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-2-yl]ethanol
CID 83110527
1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
CID 83126507
3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586348
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355
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
1-(5-fluoro-2-pyridinyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 83126705
1-(5-fluoro-2-pyridinyl)-N-methyl-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 83126206

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 104692034) is 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCC1CCCCCN1CCC(N)c1ccc(F)cn1.
What is the InChIKey of 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is FNZXVNDGELKPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-2-14-6-4-3-5-10-20(14)11-9-15(18)16-8-7-13(17)12-19-16/h7-8,12,14-15H,2-6,9-11,18H2,1H3.
What are the key properties of 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 104692034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).