3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide

C11H23N3O2 — CID 76942670

IUPAC3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-2-14(6-3-11(12)13-15)9-10-4-7-16-8-5-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyFRNALQSXBRJSPH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds6

About 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76942670) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76942670
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-2-14(6-3-11(12)13-15)9-10-4-7-16-8-5-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyFRNALQSXBRJSPH-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
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(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 76942670) is 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)CC1CCOCC1.
What is the InChIKey of 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is FRNALQSXBRJSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-14(6-3-11(12)13-15)9-10-4-7-16-8-5-10/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76942670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).