1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone

C11H20N2O2 — CID 104922136

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
SMILESNCC1CN(C(=O)CC2CCC2)CCO1
InChIInChI=1S/C11H20N2O2/c12-7-10-8-13(4-5-15-10)11(14)6-9-2-1-3-9/h9-10H,1-8,12H2
InChIKeyMJWNAYQFHTXTNV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.36
Rot. Bonds3

About 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone

1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone (PubChem CID 104922136) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
PubChem CID104922136
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
SMILESNCC1CN(C(=O)CC2CCC2)CCO1
InChIInChI=1S/C11H20N2O2/c12-7-10-8-13(4-5-15-10)11(14)6-9-2-1-3-9/h9-10H,1-8,12H2
InChIKeyMJWNAYQFHTXTNV-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 114398267
2-[4-[2-(thian-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 83144878
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114873390
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone
CID 103840827
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-(aminomethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 61337402
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyrrolidin-3-ylethanone
CID 81203465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone (CID 104922136) is 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone is NCC1CN(C(=O)CC2CCC2)CCO1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone?
The InChIKey is MJWNAYQFHTXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-7-10-8-13(4-5-15-10)11(14)6-9-2-1-3-9/h9-10H,1-8,12H2.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone?
1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone has a molecular weight of 212.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone is sourced from PubChem (CID 104922136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).