2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide

C10H21N3O2 — CID 83028480

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide
SMILESCC(NC1CCOC(C)(C)C1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-7(9(11)13-14)12-8-4-5-15-10(2,3)6-8/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13)
InChIKeyLUPSFEXXLHWKMX-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.67
Rot. Bonds3

About 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide

2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 83028480) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide
PubChem CID83028480
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide
SMILESCC(NC1CCOC(C)(C)C1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-7(9(11)13-14)12-8-4-5-15-10(2,3)6-8/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13)
InChIKeyLUPSFEXXLHWKMX-UHFFFAOYSA-N
XLogP0.67
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
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 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide (CID 83028480) is 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide is CC(NC1CCOC(C)(C)C1)C(N)=NO.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is LUPSFEXXLHWKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(9(11)13-14)12-8-4-5-15-10(2,3)6-8/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide?
2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 83028480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).