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

C14H28N2O3 — CID 54218223

IUPAC2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIInChI=1S/C14H28N2O3/c1-5-16(6-2)13(17)10-12-9-11(7-8-15)18-14(3,4)19-12/h11-12H,5-10,15H2,1-4H3/t11-,12-/m1/s1
InChIKeyQAROAVDKRWSXCK-VXGBXAGGSA-N
MW272.39 g/mol
LogP1.50
Rot. Bonds6

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

2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide (PubChem CID 54218223) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide
PubChem CID54218223
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIInChI=1S/C14H28N2O3/c1-5-16(6-2)13(17)10-12-9-11(7-8-15)18-14(3,4)19-12/h11-12H,5-10,15H2,1-4H3/t11-,12-/m1/s1
InChIKeyQAROAVDKRWSXCK-VXGBXAGGSA-N
XLogP1.50
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.50
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-diethylacetamide?
The IUPAC name of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide (CID 54218223) is 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide is CCN(CC)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-diethylacetamide?
The InChIKey is QAROAVDKRWSXCK-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-16(6-2)13(17)10-12-9-11(7-8-15)18-14(3,4)19-12/h11-12H,5-10,15H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide?
2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide has a molecular weight of 272.39 g/mol, XLogP of 1.50, 6 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-diethylacetamide is sourced from PubChem (CID 54218223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).