1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one

C12H22N2O2 — CID 83151811

IUPAC1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one
SMILESCC(C(=O)N1CC(CN)OCC1C)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8-7-16-11(5-13)6-14(8)12(15)9(2)10-3-4-10/h8-11H,3-7,13H2,1-2H3
InChIKeyKUBCXZMOYUMTRV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds3

About 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one

1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one (PubChem CID 83151811) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one
PubChem CID83151811
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one
SMILESCC(C(=O)N1CC(CN)OCC1C)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8-7-16-11(5-13)6-14(8)12(15)9(2)10-3-4-10/h8-11H,3-7,13H2,1-2H3
InChIKeyKUBCXZMOYUMTRV-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one (CID 83151811) is 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one is CC(C(=O)N1CC(CN)OCC1C)C1CC1.
What is the InChIKey of 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one?
The InChIKey is KUBCXZMOYUMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-7-16-11(5-13)6-14(8)12(15)9(2)10-3-4-10/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one?
1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one is sourced from PubChem (CID 83151811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).