2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol

C11H24N2O3 — CID 107865293

IUPAC2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC1CN(C)CCO1
InChIInChI=1S/C11H24N2O3/c1-3-11(8-14,9-15)12-6-10-7-13(2)4-5-16-10/h10,12,14-15H,3-9H2,1-2H3
InChIKeyYGXVEHOIHUENDB-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.96
Rot. Bonds6

About 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol

2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol (PubChem CID 107865293) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol
PubChem CID107865293
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC1CN(C)CCO1
InChIInChI=1S/C11H24N2O3/c1-3-11(8-14,9-15)12-6-10-7-13(2)4-5-16-10/h10,12,14-15H,3-9H2,1-2H3
InChIKeyYGXVEHOIHUENDB-UHFFFAOYSA-N
XLogP-0.96
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine
CID 79172199
2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009171
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 115616636
2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid
CID 79182699
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
2-[(4-methylmorpholin-2-yl)methylamino]propan-1-ol
CID 78945058
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
(4-methylmorpholin-2-yl)methanol;nonane
CID 143690142

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol (CID 107865293) is 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCC1CN(C)CCO1.
What is the InChIKey of 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol?
The InChIKey is YGXVEHOIHUENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-3-11(8-14,9-15)12-6-10-7-13(2)4-5-16-10/h10,12,14-15H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol has a molecular weight of 232.32 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 107865293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).