2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol

C11H24N2O4 — CID 114009171

IUPAC2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCN1CCOC(CNC(CO)(CO)CO)C1
InChIInChI=1S/C11H24N2O4/c1-2-13-3-4-17-10(6-13)5-12-11(7-14,8-15)9-16/h10,12,14-16H,2-9H2,1H3
InChIKeyHWOVGRZJPJKOMF-UHFFFAOYSA-N
MW248.32 g/mol
LogP-1.99
Rot. Bonds7

About 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol

2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 114009171) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID114009171
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCN1CCOC(CNC(CO)(CO)CO)C1
InChIInChI=1S/C11H24N2O4/c1-2-13-3-4-17-10(6-13)5-12-11(7-14,8-15)9-16/h10,12,14-16H,2-9H2,1H3
InChIKeyHWOVGRZJPJKOMF-UHFFFAOYSA-N
XLogP-1.99
TPSA85.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol
CID 107865293
2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid
CID 79182003
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
2,4-diethylmorpholine
CID 58988021
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 79164858
trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol
CID 102731765
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-methylpropan-2-amine
CID 162424315
N-[(4-ethylmorpholin-2-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83014407
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol (CID 114009171) is 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol is CCN1CCOC(CNC(CO)(CO)CO)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is HWOVGRZJPJKOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-2-13-3-4-17-10(6-13)5-12-11(7-14,8-15)9-16/h10,12,14-16H,2-9H2,1H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 248.32 g/mol, XLogP of -1.99, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 114009171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).