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

C13H28N2O2 — CID 63739640

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

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

N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine (PubChem CID 63739640) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
PubChem CID63739640
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
SMILESCCN(CCOC)CC1(CNC)CCCOC1
InChIInChI=1S/C13H28N2O2/c1-4-15(7-9-16-3)11-13(10-14-2)6-5-8-17-12-13/h14H,4-12H2,1-3H3
InChIKeyPSIDEHMSUHCWOH-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

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Related Compounds

N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 81074952
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 63739653
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742234
2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
CID 107486619
[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
CID 63747610
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 63954673
N-ethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]propan-1-amine
CID 168996046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine (CID 63739640) is N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine is CCN(CCOC)CC1(CNC)CCCOC1.
What is the InChIKey of N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is PSIDEHMSUHCWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-15(7-9-16-3)11-13(10-14-2)6-5-8-17-12-13/h14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
N-ethyl-2-methoxy-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 N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63739640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).