1-(1,4-dioxan-2-yl)ethanamine

C6H13NO2 — CID 54499564

IUPAC1-(1,4-dioxan-2-yl)ethanamine
SMILESCC(N)C1COCCO1
InChIInChI=1S/C6H13NO2/c1-5(7)6-4-8-2-3-9-6/h5-6H,2-4,7H2,1H3
InChIKeyYBMCUQGJDWTFOO-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.25
Rot. Bonds1

About 1-(1,4-dioxan-2-yl)ethanamine

1-(1,4-dioxan-2-yl)ethanamine (PubChem CID 54499564) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)ethanamine
PubChem CID54499564
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-(1,4-dioxan-2-yl)ethanamine
SMILESCC(N)C1COCCO1
InChIInChI=1S/C6H13NO2/c1-5(7)6-4-8-2-3-9-6/h5-6H,2-4,7H2,1H3
InChIKeyYBMCUQGJDWTFOO-UHFFFAOYSA-N
XLogP-0.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 1-(1,4-dioxan-2-yl)ethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)ethanamine (CID 54499564) is 1-(1,4-dioxan-2-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)ethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)ethanamine is CC(N)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)ethanamine?
The InChIKey is YBMCUQGJDWTFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7)6-4-8-2-3-9-6/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)ethanamine?
1-(1,4-dioxan-2-yl)ethanamine has a molecular weight of 131.18 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)ethanamine is sourced from PubChem (CID 54499564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).