3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide

C12H25N3O2 — CID 61424243

IUPAC3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide
SMILESCCC1COC(C)CN1C(CC)CC(N)=NO
InChIInChI=1S/C12H25N3O2/c1-4-10(6-12(13)14-16)15-7-9(3)17-8-11(15)5-2/h9-11,16H,4-8H2,1-3H3,(H2,13,14)
InChIKeyWYWWMRQXTMJCOP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds5

About 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide

3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide (PubChem CID 61424243) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide
PubChem CID61424243
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide
SMILESCCC1COC(C)CN1C(CC)CC(N)=NO
InChIInChI=1S/C12H25N3O2/c1-4-10(6-12(13)14-16)15-7-9(3)17-8-11(15)5-2/h9-11,16H,4-8H2,1-3H3,(H2,13,14)
InChIKeyWYWWMRQXTMJCOP-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide (CID 61424243) is 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide is CCC1COC(C)CN1C(CC)CC(N)=NO.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide?
The InChIKey is WYWWMRQXTMJCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-10(6-12(13)14-16)15-7-9(3)17-8-11(15)5-2/h9-11,16H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide?
3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 61424243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).