5-(3-aminopropyl)-4-benzylmorpholin-3-one

C14H20N2O2 — CID 115060565

IUPAC5-(3-aminopropyl)-4-benzylmorpholin-3-one
SMILESNCCCC1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c15-8-4-7-13-10-18-11-14(17)16(13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2
InChIKeyJXCHKRXLEVRUAA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds5

About 5-(3-aminopropyl)-4-benzylmorpholin-3-one

5-(3-aminopropyl)-4-benzylmorpholin-3-one (PubChem CID 115060565) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-benzylmorpholin-3-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-benzylmorpholin-3-one
PubChem CID115060565
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(3-aminopropyl)-4-benzylmorpholin-3-one
SMILESNCCCC1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c15-8-4-7-13-10-18-11-14(17)16(13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2
InChIKeyJXCHKRXLEVRUAA-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-benzylmorpholin-3-one?
The IUPAC name of 5-(3-aminopropyl)-4-benzylmorpholin-3-one (CID 115060565) is 5-(3-aminopropyl)-4-benzylmorpholin-3-one.
What is the SMILES notation for 5-(3-aminopropyl)-4-benzylmorpholin-3-one?
The canonical SMILES for 5-(3-aminopropyl)-4-benzylmorpholin-3-one is NCCCC1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 5-(3-aminopropyl)-4-benzylmorpholin-3-one?
The InChIKey is JXCHKRXLEVRUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-8-4-7-13-10-18-11-14(17)16(13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2.
What are the key properties of 5-(3-aminopropyl)-4-benzylmorpholin-3-one?
5-(3-aminopropyl)-4-benzylmorpholin-3-one has a molecular weight of 248.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-benzylmorpholin-3-one is sourced from PubChem (CID 115060565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).