2,2-diethoxy-1,3-dioxan-5-amine

C8H17NO4 — CID 59657937

IUPAC2,2-diethoxy-1,3-dioxan-5-amine
SMILESCCOC1(OCC)OCC(N)CO1
InChIInChI=1S/C8H17NO4/c1-3-10-8(11-4-2)12-5-7(9)6-13-8/h7H,3-6,9H2,1-2H3
InChIKeyGIZRWYKMWCUMIT-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.04
Rot. Bonds4

About 2,2-diethoxy-1,3-dioxan-5-amine

2,2-diethoxy-1,3-dioxan-5-amine (PubChem CID 59657937) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,2-diethoxy-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-diethoxy-1,3-dioxan-5-amine
PubChem CID59657937
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2,2-diethoxy-1,3-dioxan-5-amine
SMILESCCOC1(OCC)OCC(N)CO1
InChIInChI=1S/C8H17NO4/c1-3-10-8(11-4-2)12-5-7(9)6-13-8/h7H,3-6,9H2,1-2H3
InChIKeyGIZRWYKMWCUMIT-UHFFFAOYSA-N
XLogP0.04
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1,3-dioxan-5-amine?
The IUPAC name of 2,2-diethoxy-1,3-dioxan-5-amine (CID 59657937) is 2,2-diethoxy-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-diethoxy-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-diethoxy-1,3-dioxan-5-amine is CCOC1(OCC)OCC(N)CO1.
What is the InChIKey of 2,2-diethoxy-1,3-dioxan-5-amine?
The InChIKey is GIZRWYKMWCUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-3-10-8(11-4-2)12-5-7(9)6-13-8/h7H,3-6,9H2,1-2H3.
What are the key properties of 2,2-diethoxy-1,3-dioxan-5-amine?
2,2-diethoxy-1,3-dioxan-5-amine has a molecular weight of 191.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1,3-dioxan-5-amine is sourced from PubChem (CID 59657937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).