2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine

C10H19NO4 — CID 20812549

IUPAC2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine
SMILESCC1OCC(NC2COC(C)OC2)CO1
InChIInChI=1S/C10H19NO4/c1-7-12-3-9(4-13-7)11-10-5-14-8(2)15-6-10/h7-11H,3-6H2,1-2H3
InChIKeyYVSVUOCAYSKOBE-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.10
Rot. Bonds2

About 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine

2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine (PubChem CID 20812549) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine
PubChem CID20812549
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine
SMILESCC1OCC(NC2COC(C)OC2)CO1
InChIInChI=1S/C10H19NO4/c1-7-12-3-9(4-13-7)11-10-5-14-8(2)15-6-10/h7-11H,3-6H2,1-2H3
InChIKeyYVSVUOCAYSKOBE-UHFFFAOYSA-N
XLogP0.10
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine?
The IUPAC name of 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine (CID 20812549) is 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine?
The canonical SMILES for 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine is CC1OCC(NC2COC(C)OC2)CO1.
What is the InChIKey of 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine?
The InChIKey is YVSVUOCAYSKOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7-12-3-9(4-13-7)11-10-5-14-8(2)15-6-10/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine?
2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine has a molecular weight of 217.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1,3-dioxan-5-yl)-1,3-dioxan-5-amine is sourced from PubChem (CID 20812549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).