3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C11H23N3O2 — CID 76910387

IUPAC3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC1CCOC1)CC(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-3-14(6-9(2)11(12)13-15)7-10-4-5-16-8-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyCNZFXJCADVWXON-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.73
Rot. Bonds6

About 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910387) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910387
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC1CCOC1)CC(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-3-14(6-9(2)11(12)13-15)7-10-4-5-16-8-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyCNZFXJCADVWXON-UHFFFAOYSA-N
XLogP0.73
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.73
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-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910387) is 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC1CCOC1)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is CNZFXJCADVWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-14(6-9(2)11(12)13-15)7-10-4-5-16-8-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).