3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine

C13H21N3O — CID 55075141

IUPAC3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine
SMILESCCC1COC(C)CN1Cc1cccnc1N
InChIInChI=1S/C13H21N3O/c1-3-12-9-17-10(2)7-16(12)8-11-5-4-6-15-13(11)14/h4-6,10,12H,3,7-9H2,1-2H3,(H2,14,15)
InChIKeyVAPJJRFEVTZOLJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds3

About 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine

3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine (PubChem CID 55075141) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine
PubChem CID55075141
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine
SMILESCCC1COC(C)CN1Cc1cccnc1N
InChIInChI=1S/C13H21N3O/c1-3-12-9-17-10(2)7-16(12)8-11-5-4-6-15-13(11)14/h4-6,10,12H,3,7-9H2,1-2H3,(H2,14,15)
InChIKeyVAPJJRFEVTZOLJ-UHFFFAOYSA-N
XLogP1.66
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine (CID 55075141) is 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine is CCC1COC(C)CN1Cc1cccnc1N.
What is the InChIKey of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine?
The InChIKey is VAPJJRFEVTZOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-12-9-17-10(2)7-16(12)8-11-5-4-6-15-13(11)14/h4-6,10,12H,3,7-9H2,1-2H3,(H2,14,15).
What are the key properties of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine?
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 55075141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).