oxan-3-yl-(4-propylmorpholin-2-yl)methanamine

C13H26N2O2 — CID 107136660

IUPACoxan-3-yl-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(N)C2CCCOC2)C1
InChIInChI=1S/C13H26N2O2/c1-2-5-15-6-8-17-12(9-15)13(14)11-4-3-7-16-10-11/h11-13H,2-10,14H2,1H3
InChIKeyQSDOQMRUYVPDES-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds4

About oxan-3-yl-(4-propylmorpholin-2-yl)methanamine

oxan-3-yl-(4-propylmorpholin-2-yl)methanamine (PubChem CID 107136660) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is oxan-3-yl-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Nameoxan-3-yl-(4-propylmorpholin-2-yl)methanamine
PubChem CID107136660
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameoxan-3-yl-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(N)C2CCCOC2)C1
InChIInChI=1S/C13H26N2O2/c1-2-5-15-6-8-17-12(9-15)13(14)11-4-3-7-16-10-11/h11-13H,2-10,14H2,1H3
InChIKeyQSDOQMRUYVPDES-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of oxan-3-yl-(4-propylmorpholin-2-yl)methanamine (CID 107136660) is oxan-3-yl-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for oxan-3-yl-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for oxan-3-yl-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(N)C2CCCOC2)C1.
What is the InChIKey of oxan-3-yl-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is QSDOQMRUYVPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-5-15-6-8-17-12(9-15)13(14)11-4-3-7-16-10-11/h11-13H,2-10,14H2,1H3.
What are the key properties of oxan-3-yl-(4-propylmorpholin-2-yl)methanamine?
oxan-3-yl-(4-propylmorpholin-2-yl)methanamine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 107136660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).