4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine

C11H22N2O2 — CID 66236109

IUPAC4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine
SMILESCC1CN(CC2COCC2N)C(C)CO1
InChIInChI=1S/C11H22N2O2/c1-8-5-15-9(2)3-13(8)4-10-6-14-7-11(10)12/h8-11H,3-7,12H2,1-2H3
InChIKeyCBOAGUJLMMQARH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.07
Rot. Bonds2

About 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine

4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine (PubChem CID 66236109) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine
PubChem CID66236109
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine
SMILESCC1CN(CC2COCC2N)C(C)CO1
InChIInChI=1S/C11H22N2O2/c1-8-5-15-9(2)3-13(8)4-10-6-14-7-11(10)12/h8-11H,3-7,12H2,1-2H3
InChIKeyCBOAGUJLMMQARH-UHFFFAOYSA-N
XLogP0.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine (CID 66236109) is 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine is CC1CN(CC2COCC2N)C(C)CO1.
What is the InChIKey of 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine?
The InChIKey is CBOAGUJLMMQARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-5-15-9(2)3-13(8)4-10-6-14-7-11(10)12/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine?
4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine has a molecular weight of 214.31 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 66236109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).