N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine

C11H23NO3 — CID 154231344

IUPACN-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CC(OC)OC1OC
InChIInChI=1S/C11H23NO3/c1-5-12(6-2)8-9-7-10(13-3)15-11(9)14-4/h9-11H,5-8H2,1-4H3
InChIKeyKCEBUVPUMQBJDS-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.31
Rot. Bonds6

About N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine

N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine (PubChem CID 154231344) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine
PubChem CID154231344
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CC(OC)OC1OC
InChIInChI=1S/C11H23NO3/c1-5-12(6-2)8-9-7-10(13-3)15-11(9)14-4/h9-11H,5-8H2,1-4H3
InChIKeyKCEBUVPUMQBJDS-UHFFFAOYSA-N
XLogP1.31
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine (CID 154231344) is N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine is CCN(CC)CC1CC(OC)OC1OC.
What is the InChIKey of N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine?
The InChIKey is KCEBUVPUMQBJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-12(6-2)8-9-7-10(13-3)15-11(9)14-4/h9-11H,5-8H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine?
N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine has a molecular weight of 217.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 154231344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).