2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine

C13H28N2O2 — CID 81074952

IUPAC2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
SMILESCCOCCN(C)CC1(CNC)CCCOC1
InChIInChI=1S/C13H28N2O2/c1-4-16-9-7-15(3)11-13(10-14-2)6-5-8-17-12-13/h14H,4-12H2,1-3H3
InChIKeyWVHPVZTXSCMZBA-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds8

About 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine

2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine (PubChem CID 81074952) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
PubChem CID81074952
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
SMILESCCOCCN(C)CC1(CNC)CCCOC1
InChIInChI=1S/C13H28N2O2/c1-4-16-9-7-15(3)11-13(10-14-2)6-5-8-17-12-13/h14H,4-12H2,1-3H3
InChIKeyWVHPVZTXSCMZBA-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 63739640
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63742121
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741708
2-[2-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]ethoxy]ethanol
CID 114243662
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211209
2-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine
CID 62259359
2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 63739818
3-(bromomethyl)-3-(2-ethoxyethyl)oxane
CID 66042265
3-(chloromethyl)-3-(2-ethoxyethyl)oxane
CID 66036187
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine (CID 81074952) is 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine is CCOCCN(C)CC1(CNC)CCCOC1.
What is the InChIKey of 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is WVHPVZTXSCMZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-16-9-7-15(3)11-13(10-14-2)6-5-8-17-12-13/h14H,4-12H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 81074952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).