2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide

C13H27N3O2 — CID 114782484

IUPAC2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CC(CN)OC(C)(C)C1
InChIInChI=1S/C13H27N3O2/c1-5-6-15-12(17)10(2)16-8-11(7-14)18-13(3,4)9-16/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyCZAXLXWUJNTAGM-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds5

About 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide

2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide (PubChem CID 114782484) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide
PubChem CID114782484
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CC(CN)OC(C)(C)C1
InChIInChI=1S/C13H27N3O2/c1-5-6-15-12(17)10(2)16-8-11(7-14)18-13(3,4)9-16/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyCZAXLXWUJNTAGM-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide?
The IUPAC name of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide (CID 114782484) is 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide?
The canonical SMILES for 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CC(CN)OC(C)(C)C1.
What is the InChIKey of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide?
The InChIKey is CZAXLXWUJNTAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-6-15-12(17)10(2)16-8-11(7-14)18-13(3,4)9-16/h10-11H,5-9,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide?
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide is sourced from PubChem (CID 114782484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).