4-[3-(4-methyloxan-2-yl)propyl]morpholine

C13H25NO2 — CID 138569422

IUPAC4-[3-(4-methyloxan-2-yl)propyl]morpholine
SMILESCC1CCOC(CCCN2CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-12-4-8-16-13(11-12)3-2-5-14-6-9-15-10-7-14/h12-13H,2-11H2,1H3
InChIKeyQOLWUJHPQSRMGB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.91
Rot. Bonds4

About 4-[3-(4-methyloxan-2-yl)propyl]morpholine

4-[3-(4-methyloxan-2-yl)propyl]morpholine (PubChem CID 138569422) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[3-(4-methyloxan-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methyloxan-2-yl)propyl]morpholine
PubChem CID138569422
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-[3-(4-methyloxan-2-yl)propyl]morpholine
SMILESCC1CCOC(CCCN2CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-12-4-8-16-13(11-12)3-2-5-14-6-9-15-10-7-14/h12-13H,2-11H2,1H3
InChIKeyQOLWUJHPQSRMGB-UHFFFAOYSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyloxan-2-yl)propyl]morpholine?
The IUPAC name of 4-[3-(4-methyloxan-2-yl)propyl]morpholine (CID 138569422) is 4-[3-(4-methyloxan-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-methyloxan-2-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-methyloxan-2-yl)propyl]morpholine is CC1CCOC(CCCN2CCOCC2)C1.
What is the InChIKey of 4-[3-(4-methyloxan-2-yl)propyl]morpholine?
The InChIKey is QOLWUJHPQSRMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12-4-8-16-13(11-12)3-2-5-14-6-9-15-10-7-14/h12-13H,2-11H2,1H3.
What are the key properties of 4-[3-(4-methyloxan-2-yl)propyl]morpholine?
4-[3-(4-methyloxan-2-yl)propyl]morpholine has a molecular weight of 227.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyloxan-2-yl)propyl]morpholine is sourced from PubChem (CID 138569422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).