N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine

C15H30N2O2 — CID 104960751

IUPACN-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCCOC1
InChIInChI=1S/C15H30N2O2/c1-4-16-10-15(6-5-7-18-12-15)11-17-8-13(2)19-14(3)9-17/h13-14,16H,4-12H2,1-3H3/t13-,14+,15?
InChIKeyOSIBXHKHBYGBBC-YIONKMFJSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds5

About N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine

N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine (PubChem CID 104960751) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
PubChem CID104960751
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCCOC1
InChIInChI=1S/C15H30N2O2/c1-4-16-10-15(6-5-7-18-12-15)11-17-8-13(2)19-14(3)9-17/h13-14,16H,4-12H2,1-3H3/t13-,14+,15?
InChIKeyOSIBXHKHBYGBBC-YIONKMFJSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine (CID 104960751) is N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine is CCNCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCCOC1.
What is the InChIKey of N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine?
The InChIKey is OSIBXHKHBYGBBC-YIONKMFJSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-16-10-15(6-5-7-18-12-15)11-17-8-13(2)19-14(3)9-17/h13-14,16H,4-12H2,1-3H3/t13-,14+,15?.
What are the key properties of N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine?
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 104960751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).