N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide

C12H25N3O3 — CID 104985393

IUPACN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H25N3O3/c1-3-10(8-11(13)14-17)15(2)9-12(16)4-6-18-7-5-12/h10,16-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeyRELSJSDFPRNSLR-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.37
Rot. Bonds6

About N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide

N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide (PubChem CID 104985393) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
PubChem CID104985393
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H25N3O3/c1-3-10(8-11(13)14-17)15(2)9-12(16)4-6-18-7-5-12/h10,16-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeyRELSJSDFPRNSLR-UHFFFAOYSA-N
XLogP0.37
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide (CID 104985393) is N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide is CCC(CC(N)=NO)N(C)CC1(O)CCOCC1.
What is the InChIKey of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide?
The InChIKey is RELSJSDFPRNSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-3-10(8-11(13)14-17)15(2)9-12(16)4-6-18-7-5-12/h10,16-17H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide?
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide has a molecular weight of 259.35 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide is sourced from PubChem (CID 104985393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).