2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide

C12H24N2O3 — CID 66841938

IUPAC2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIInChI=1S/C12H24N2O3/c1-12(2)16-9(5-6-13)7-10(17-12)8-11(15)14(3)4/h9-10H,5-8,13H2,1-4H3/t9-,10-/m1/s1
InChIKeyQXWZLTMCTIEIGR-NXEZZACHSA-N
MW244.33 g/mol
LogP0.72
Rot. Bonds4

About 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide

2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide (PubChem CID 66841938) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide
PubChem CID66841938
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIInChI=1S/C12H24N2O3/c1-12(2)16-9(5-6-13)7-10(17-12)8-11(15)14(3)4/h9-10H,5-8,13H2,1-4H3/t9-,10-/m1/s1
InChIKeyQXWZLTMCTIEIGR-NXEZZACHSA-N
XLogP0.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide (CID 66841938) is 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1.
What is the InChIKey of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide?
The InChIKey is QXWZLTMCTIEIGR-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2)16-9(5-6-13)7-10(17-12)8-11(15)14(3)4/h9-10H,5-8,13H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide?
2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide has a molecular weight of 244.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 66841938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).