5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one

C11H20N2O3 — CID 115102750

IUPAC5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
SMILESNCC1COCC(=O)N1CC1CCCOC1
InChIInChI=1S/C11H20N2O3/c12-4-10-7-16-8-11(14)13(10)5-9-2-1-3-15-6-9/h9-10H,1-8,12H2
InChIKeyXSNYIRTXBLEOOI-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.40
Rot. Bonds3

About 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one

5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one (PubChem CID 115102750) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
PubChem CID115102750
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
SMILESNCC1COCC(=O)N1CC1CCCOC1
InChIInChI=1S/C11H20N2O3/c12-4-10-7-16-8-11(14)13(10)5-9-2-1-3-15-6-9/h9-10H,1-8,12H2
InChIKeyXSNYIRTXBLEOOI-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115103056
5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one
CID 115102735
5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one
CID 115102759
1-(oxan-3-ylmethyl)piperazine-2,5-dione
CID 64955690
1-(oxan-3-ylmethyl)piperazin-2-one
CID 64566013
3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione
CID 64967746
5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
3,3-dimethyl-1-(oxan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64967761
5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83248824
3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967664
5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250080

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one?
The IUPAC name of 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one (CID 115102750) is 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one.
What is the SMILES notation for 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one?
The canonical SMILES for 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one is NCC1COCC(=O)N1CC1CCCOC1.
What is the InChIKey of 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one?
The InChIKey is XSNYIRTXBLEOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-4-10-7-16-8-11(14)13(10)5-9-2-1-3-15-6-9/h9-10H,1-8,12H2.
What are the key properties of 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one?
5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one has a molecular weight of 228.29 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one is sourced from PubChem (CID 115102750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).