3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide

C10H21N3O2 — CID 83028402

IUPAC3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide
SMILESCC1(C)CC(NCCC(N)=NO)CCO1
InChIInChI=1S/C10H21N3O2/c1-10(2)7-8(4-6-15-10)12-5-3-9(11)13-14/h8,12,14H,3-7H2,1-2H3,(H2,11,13)
InChIKeyZTDDEWFSOQWICP-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.67
Rot. Bonds4

About 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide

3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 83028402) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide
PubChem CID83028402
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide
SMILESCC1(C)CC(NCCC(N)=NO)CCO1
InChIInChI=1S/C10H21N3O2/c1-10(2)7-8(4-6-15-10)12-5-3-9(11)13-14/h8,12,14H,3-7H2,1-2H3,(H2,11,13)
InChIKeyZTDDEWFSOQWICP-UHFFFAOYSA-N
XLogP0.67
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide (CID 83028402) is 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide is CC1(C)CC(NCCC(N)=NO)CCO1.
What is the InChIKey of 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is ZTDDEWFSOQWICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2)7-8(4-6-15-10)12-5-3-9(11)13-14/h8,12,14H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide?
3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 83028402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).