3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide

C11H23N3O2 — CID 104889548

IUPAC3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C11H23N3O2/c1-11(2)6-4-9(16-11)8-14(3)7-5-10(12)13-15/h9,15H,4-8H2,1-3H3,(H2,12,13)
InChIKeyOXUWCSBVOMIUAM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds5

About 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide

3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 104889548) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID104889548
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C11H23N3O2/c1-11(2)6-4-9(16-11)8-14(3)7-5-10(12)13-15/h9,15H,4-8H2,1-3H3,(H2,12,13)
InChIKeyOXUWCSBVOMIUAM-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
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-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide (CID 104889548) is 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide is CN(CCC(N)=NO)CC1CCC(C)(C)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is OXUWCSBVOMIUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2)6-4-9(16-11)8-14(3)7-5-10(12)13-15/h9,15H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide?
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104889548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).