2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide

C10H21N3O2 — CID 81217216

IUPAC2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CN)OCC1C
InChIInChI=1S/C10H21N3O2/c1-3-9(10(12)14)13-5-8(4-11)15-6-7(13)2/h7-9H,3-6,11H2,1-2H3,(H2,12,14)
InChIKeySRYQYGIQCITSGX-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.70
Rot. Bonds4

About 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide

2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide (PubChem CID 81217216) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide
PubChem CID81217216
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CN)OCC1C
InChIInChI=1S/C10H21N3O2/c1-3-9(10(12)14)13-5-8(4-11)15-6-7(13)2/h7-9H,3-6,11H2,1-2H3,(H2,12,14)
InChIKeySRYQYGIQCITSGX-UHFFFAOYSA-N
XLogP-0.70
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide (CID 81217216) is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide is CCC(C(N)=O)N1CC(CN)OCC1C.
What is the InChIKey of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide?
The InChIKey is SRYQYGIQCITSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-9(10(12)14)13-5-8(4-11)15-6-7(13)2/h7-9H,3-6,11H2,1-2H3,(H2,12,14).
What are the key properties of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide?
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide has a molecular weight of 215.30 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide is sourced from PubChem (CID 81217216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).