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

C11H20N2O3 — CID 115103056

IUPAC6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
SMILESNCC1CN(CC2CCCOC2)C(=O)CO1
InChIInChI=1S/C11H20N2O3/c12-4-10-6-13(11(14)8-16-10)5-9-2-1-3-15-7-9/h9-10H,1-8,12H2
InChIKeyCKCNIRNUVPUHAE-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.40
Rot. Bonds3

About 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one

6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one (PubChem CID 115103056) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
PubChem CID115103056
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
SMILESNCC1CN(CC2CCCOC2)C(=O)CO1
InChIInChI=1S/C11H20N2O3/c12-4-10-6-13(11(14)8-16-10)5-9-2-1-3-15-7-9/h9-10H,1-8,12H2
InChIKeyCKCNIRNUVPUHAE-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

5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115102750
1-(oxan-3-ylmethyl)piperazin-2-one
CID 64566013
1-(oxan-3-ylmethyl)piperazine-2,5-dione
CID 64955690
6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
CID 75531174
(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
CID 42249905
3,3-dimethyl-1-(oxan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64967761
4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid
CID 112519843
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632
6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83249029
(4R)-4-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-2-one
CID 28815490
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
6-(aminomethyl)-4-(1-methylpiperidin-4-yl)morpholin-3-one
CID 115102895

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one (CID 115103056) is 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one is NCC1CN(CC2CCCOC2)C(=O)CO1.
What is the InChIKey of 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one?
The InChIKey is CKCNIRNUVPUHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-4-10-6-13(11(14)8-16-10)5-9-2-1-3-15-7-9/h9-10H,1-8,12H2.
What are the key properties of 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one?
6-(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 6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one is sourced from PubChem (CID 115103056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).