2-[(2R)-1,4-dioxan-2-yl]ethanamine

C6H13NO2 — CID 94920257

IUPAC2-[(2R)-1,4-dioxan-2-yl]ethanamine
SMILESNCC[C@@H]1COCCO1
InChIInChI=1S/C6H13NO2/c7-2-1-6-5-8-3-4-9-6/h6H,1-5,7H2/t6-/m1/s1
InChIKeyWEHDGOQZWAEHDK-ZCFIWIBFSA-N
MW131.18 g/mol
LogP-0.25
Rot. Bonds2

About 2-[(2R)-1,4-dioxan-2-yl]ethanamine

2-[(2R)-1,4-dioxan-2-yl]ethanamine (PubChem CID 94920257) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-[(2R)-1,4-dioxan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-1,4-dioxan-2-yl]ethanamine
PubChem CID94920257
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-[(2R)-1,4-dioxan-2-yl]ethanamine
SMILESNCC[C@@H]1COCCO1
InChIInChI=1S/C6H13NO2/c7-2-1-6-5-8-3-4-9-6/h6H,1-5,7H2/t6-/m1/s1
InChIKeyWEHDGOQZWAEHDK-ZCFIWIBFSA-N
XLogP-0.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,4-dioxan-2-yl]ethanamine?
The IUPAC name of 2-[(2R)-1,4-dioxan-2-yl]ethanamine (CID 94920257) is 2-[(2R)-1,4-dioxan-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-1,4-dioxan-2-yl]ethanamine?
The canonical SMILES for 2-[(2R)-1,4-dioxan-2-yl]ethanamine is NCC[C@@H]1COCCO1.
What is the InChIKey of 2-[(2R)-1,4-dioxan-2-yl]ethanamine?
The InChIKey is WEHDGOQZWAEHDK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO2/c7-2-1-6-5-8-3-4-9-6/h6H,1-5,7H2/t6-/m1/s1.
What are the key properties of 2-[(2R)-1,4-dioxan-2-yl]ethanamine?
2-[(2R)-1,4-dioxan-2-yl]ethanamine has a molecular weight of 131.18 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,4-dioxan-2-yl]ethanamine is sourced from PubChem (CID 94920257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).