1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine

C15H24FN3O — CID 115941378

IUPAC1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
SMILESCNC(c1ccc(F)cn1)C(C)CN1CCCOCC1
InChIInChI=1S/C15H24FN3O/c1-12(11-19-6-3-8-20-9-7-19)15(17-2)14-5-4-13(16)10-18-14/h4-5,10,12,15,17H,3,6-9,11H2,1-2H3
InChIKeyDICGOKMFBPNEJP-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.84
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine

1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine (PubChem CID 115941378) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
PubChem CID115941378
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
SMILESCNC(c1ccc(F)cn1)C(C)CN1CCCOCC1
InChIInChI=1S/C15H24FN3O/c1-12(11-19-6-3-8-20-9-7-19)15(17-2)14-5-4-13(16)10-18-14/h4-5,10,12,15,17H,3,6-9,11H2,1-2H3
InChIKeyDICGOKMFBPNEJP-UHFFFAOYSA-N
XLogP1.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115941126
[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 115967196
1-(5-fluoro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 83117663
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
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183
3-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941444
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
CID 112586255
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629
5-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61474336
N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115941288

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine (CID 115941378) is 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine is CNC(c1ccc(F)cn1)C(C)CN1CCCOCC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine?
The InChIKey is DICGOKMFBPNEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-12(11-19-6-3-8-20-9-7-19)15(17-2)14-5-4-13(16)10-18-14/h4-5,10,12,15,17H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine is sourced from PubChem (CID 115941378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).