2-(1,3-dioxan-2-yl)-N-methylethanamine

C7H15NO2 — CID 15346395

IUPAC2-(1,3-dioxan-2-yl)-N-methylethanamine
SMILESCNCCC1OCCCO1
InChIInChI=1S/C7H15NO2/c1-8-4-3-7-9-5-2-6-10-7/h7-8H,2-6H2,1H3
InChIKeyZGOIVAQFOATWMR-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.36
Rot. Bonds3

About 2-(1,3-dioxan-2-yl)-N-methylethanamine

2-(1,3-dioxan-2-yl)-N-methylethanamine (PubChem CID 15346395) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-N-methylethanamine
PubChem CID15346395
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(1,3-dioxan-2-yl)-N-methylethanamine
SMILESCNCCC1OCCCO1
InChIInChI=1S/C7H15NO2/c1-8-4-3-7-9-5-2-6-10-7/h7-8H,2-6H2,1H3
InChIKeyZGOIVAQFOATWMR-UHFFFAOYSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(1,3-dioxan-2-yl)-N-methylethanamine (CID 15346395) is 2-(1,3-dioxan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-N-methylethanamine is CNCCC1OCCCO1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-N-methylethanamine?
The InChIKey is ZGOIVAQFOATWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-4-3-7-9-5-2-6-10-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-(1,3-dioxan-2-yl)-N-methylethanamine?
2-(1,3-dioxan-2-yl)-N-methylethanamine has a molecular weight of 145.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-N-methylethanamine is sourced from PubChem (CID 15346395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).