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

C15H30N2O3 — CID 54002510

IUPAC2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIInChI=1S/C15H30N2O3/c1-5-6-9-17(4)14(18)11-13-10-12(7-8-16)19-15(2,3)20-13/h12-13H,5-11,16H2,1-4H3/t12-,13-/m1/s1
InChIKeyKMPNYNXYWUGCQP-CHWSQXEVSA-N
MW286.42 g/mol
LogP1.89
Rot. Bonds7

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

2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide (PubChem CID 54002510) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide
PubChem CID54002510
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIInChI=1S/C15H30N2O3/c1-5-6-9-17(4)14(18)11-13-10-12(7-8-16)19-15(2,3)20-13/h12-13H,5-11,16H2,1-4H3/t12-,13-/m1/s1
InChIKeyKMPNYNXYWUGCQP-CHWSQXEVSA-N
XLogP1.89
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.89
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-butyl-N-methylacetamide?
The IUPAC name of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide (CID 54002510) is 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide?
The canonical SMILES for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide is CCCCN(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-butyl-N-methylacetamide?
The InChIKey is KMPNYNXYWUGCQP-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-6-9-17(4)14(18)11-13-10-12(7-8-16)19-15(2,3)20-13/h12-13H,5-11,16H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide?
2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-butyl-N-methylacetamide has a molecular weight of 286.42 g/mol, XLogP of 1.89, 7 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-butyl-N-methylacetamide is sourced from PubChem (CID 54002510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).