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

C5H11NO2 — CID 154516283

IUPAC5-methyl-1,3-dioxan-2-amine
SMILESCC1COC(N)OC1
InChIInChI=1S/C5H11NO2/c1-4-2-7-5(6)8-3-4/h4-5H,2-3,6H2,1H3
InChIKeyQDBLMQXRWIQJFK-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.09
Rot. Bonds

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

5-methyl-1,3-dioxan-2-amine (PubChem CID 154516283) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 5-methyl-1,3-dioxan-2-amine.

Molecular Properties

Compound Name5-methyl-1,3-dioxan-2-amine
PubChem CID154516283
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name5-methyl-1,3-dioxan-2-amine
SMILESCC1COC(N)OC1
InChIInChI=1S/C5H11NO2/c1-4-2-7-5(6)8-3-4/h4-5H,2-3,6H2,1H3
InChIKeyQDBLMQXRWIQJFK-UHFFFAOYSA-N
XLogP-0.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-dioxan-2-amine?
The IUPAC name of 5-methyl-1,3-dioxan-2-amine (CID 154516283) is 5-methyl-1,3-dioxan-2-amine.
What is the SMILES notation for 5-methyl-1,3-dioxan-2-amine?
The canonical SMILES for 5-methyl-1,3-dioxan-2-amine is CC1COC(N)OC1.
What is the InChIKey of 5-methyl-1,3-dioxan-2-amine?
The InChIKey is QDBLMQXRWIQJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4-2-7-5(6)8-3-4/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-methyl-1,3-dioxan-2-amine?
5-methyl-1,3-dioxan-2-amine has a molecular weight of 117.15 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-dioxan-2-amine is sourced from PubChem (CID 154516283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).