N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide

C12H25N3O2 — CID 77061960

IUPACN'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide
SMILESCC(C)(CCNCC1CCOCC1)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-12(2,11(13)15-16)5-6-14-9-10-3-7-17-8-4-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15)
InChIKeyOZYFPYXOSLXACJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.17
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide (PubChem CID 77061960) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide
PubChem CID77061960
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide
SMILESCC(C)(CCNCC1CCOCC1)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-12(2,11(13)15-16)5-6-14-9-10-3-7-17-8-4-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15)
InChIKeyOZYFPYXOSLXACJ-UHFFFAOYSA-N
XLogP1.17
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyloxan-4-yl)methylamino]methyl]propanimidamide
CID 105895830
3,3,3-trifluoro-N'-hydroxy-2-[(oxan-4-ylmethylamino)methyl]propanimidamide
CID 113807993
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 55066359
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 76207010
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76942669
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76942670
N'-hydroxy-2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942671
N'-hydroxy-3-[2-methylpropyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942673
N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide
CID 76942674
2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76942675
N'-hydroxy-2-[oxan-4-ylmethyl(propyl)amino]ethanimidamide
CID 76942676

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide (CID 77061960) is N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide is CC(C)(CCNCC1CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide?
The InChIKey is OZYFPYXOSLXACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,11(13)15-16)5-6-14-9-10-3-7-17-8-4-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide is sourced from PubChem (CID 77061960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).