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

C12H25N3O2 — CID 83028564

IUPAC3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CCOC(C)(C)C1
InChIInChI=1S/C12H25N3O2/c1-4-9(7-11(13)15-16)14-10-5-6-17-12(2,3)8-10/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyZKTZOPGUESSHJS-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.45
Rot. Bonds5

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

3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide (PubChem CID 83028564) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide
PubChem CID83028564
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CCOC(C)(C)C1
InChIInChI=1S/C12H25N3O2/c1-4-9(7-11(13)15-16)14-10-5-6-17-12(2,3)8-10/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyZKTZOPGUESSHJS-UHFFFAOYSA-N
XLogP1.45
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.45
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'-hydroxypentanimidamide?
The IUPAC name of 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide (CID 83028564) is 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC1CCOC(C)(C)C1.
What is the InChIKey of 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide?
The InChIKey is ZKTZOPGUESSHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-9(7-11(13)15-16)14-10-5-6-17-12(2,3)8-10/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide?
3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.45, 5 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'-hydroxypentanimidamide is sourced from PubChem (CID 83028564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).