N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine

C16H26FN3O — CID 105389592

IUPACN-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CC(C)OCC2CC)c1F
InChIInChI=1S/C16H26FN3O/c1-4-7-18-9-13-6-8-19-16(15(13)17)20-10-12(3)21-11-14(20)5-2/h6,8,12,14,18H,4-5,7,9-11H2,1-3H3
InChIKeySQSZUVJBZDSDDL-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.72
Rot. Bonds6

About N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine

N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105389592) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
PubChem CID105389592
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CC(C)OCC2CC)c1F
InChIInChI=1S/C16H26FN3O/c1-4-7-18-9-13-6-8-19-16(15(13)17)20-10-12(3)21-11-14(20)5-2/h6,8,12,14,18H,4-5,7,9-11H2,1-3H3
InChIKeySQSZUVJBZDSDDL-UHFFFAOYSA-N
XLogP2.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine (CID 105389592) is N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2CC(C)OCC2CC)c1F.
What is the InChIKey of N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is SQSZUVJBZDSDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-4-7-18-9-13-6-8-19-16(15(13)17)20-10-12(3)21-11-14(20)5-2/h6,8,12,14,18H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105389592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).