2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine

C9H19NO3 — CID 171557088

IUPAC2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine
SMILESCOC(CN)C1OC(C)(C)OC1C
InChIInChI=1S/C9H19NO3/c1-6-8(7(5-10)11-4)13-9(2,3)12-6/h6-8H,5,10H2,1-4H3
InChIKeyGGXGVCPOEAOGHM-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.50
Rot. Bonds3

About 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine

2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine (PubChem CID 171557088) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine
PubChem CID171557088
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine
SMILESCOC(CN)C1OC(C)(C)OC1C
InChIInChI=1S/C9H19NO3/c1-6-8(7(5-10)11-4)13-9(2,3)12-6/h6-8H,5,10H2,1-4H3
InChIKeyGGXGVCPOEAOGHM-UHFFFAOYSA-N
XLogP0.50
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine?
The IUPAC name of 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine (CID 171557088) is 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine?
The canonical SMILES for 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine is COC(CN)C1OC(C)(C)OC1C.
What is the InChIKey of 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine?
The InChIKey is GGXGVCPOEAOGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6-8(7(5-10)11-4)13-9(2,3)12-6/h6-8H,5,10H2,1-4H3.
What are the key properties of 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine?
2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine has a molecular weight of 189.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine is sourced from PubChem (CID 171557088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).