1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine

C7H15NO2 — CID 129125937

IUPAC1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine
SMILESCCC1OCOC1CNC
InChIInChI=1S/C7H15NO2/c1-3-6-7(4-8-2)10-5-9-6/h6-8H,3-5H2,1-2H3
InChIKeyDUQBCLAGRUAOME-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.36
Rot. Bonds3

About 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine

1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine (PubChem CID 129125937) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine
PubChem CID129125937
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine
SMILESCCC1OCOC1CNC
InChIInChI=1S/C7H15NO2/c1-3-6-7(4-8-2)10-5-9-6/h6-8H,3-5H2,1-2H3
InChIKeyDUQBCLAGRUAOME-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 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine (CID 129125937) is 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine is CCC1OCOC1CNC.
What is the InChIKey of 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine?
The InChIKey is DUQBCLAGRUAOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-6-7(4-8-2)10-5-9-6/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine?
1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine 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 1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 129125937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).