N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine

C10H22N2O — CID 58650610

IUPACN-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCN(CC)C[C@@H]1CN[C@@H](C)CO1
InChIInChI=1S/C10H22N2O/c1-4-12(5-2)7-10-6-11-9(3)8-13-10/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyOEPZMKXDSPMXAG-UWVGGRQHSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds4

About N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine

N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine (PubChem CID 58650610) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine
PubChem CID58650610
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCN(CC)C[C@@H]1CN[C@@H](C)CO1
InChIInChI=1S/C10H22N2O/c1-4-12(5-2)7-10-6-11-9(3)8-13-10/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyOEPZMKXDSPMXAG-UWVGGRQHSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine
CID 45088569
N,N-dimethyl-1-[(5R)-5-methylmorpholin-2-yl]methanamine
CID 142866340
(2S,5S)-2-ethyl-5-methylmorpholine
CID 93264101
[(2R)-5-methylmorpholin-2-yl]methanol
CID 155273553
(2S,5S)-2-(methoxymethyl)-5-methylmorpholine
CID 55300146
(2S,5R)-2-(methoxymethyl)-5-methylmorpholine
CID 155290225
(5R)-2-(methoxymethyl)-5-methylmorpholine;hydrochloride
CID 155291476
(2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine
CID 67538727
(2R,5S)-2,5-dimethylmorpholine
CID 641780
2-fluoro-5-methylmorpholine
CID 105427159
5-methylmorpholin-2-ol
CID 105427098
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine (CID 58650610) is N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine is CCN(CC)C[C@@H]1CN[C@@H](C)CO1.
What is the InChIKey of N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine?
The InChIKey is OEPZMKXDSPMXAG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-12(5-2)7-10-6-11-9(3)8-13-10/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine?
N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine is sourced from PubChem (CID 58650610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).