N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide

C11H23N3O2 — CID 43611242

IUPACN'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)C1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-3-9(8-11(12)13-15)14(2)10-4-6-16-7-5-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyLTHVHOSCAZJLQX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds5

About N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide

N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide (PubChem CID 43611242) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide
PubChem CID43611242
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)C1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-3-9(8-11(12)13-15)14(2)10-4-6-16-7-5-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyLTHVHOSCAZJLQX-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
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'}

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

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

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-4-yl)amino]methyl]propanimidamide
CID 103369269
N'-hydroxy-3-morpholin-4-ylpentanimidamide
CID 43174972
N'-hydroxy-3-(2-methylmorpholin-4-yl)pentanimidamide
CID 43174984
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide
CID 43367750
N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide
CID 43372964
N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide
CID 43372969
N'-hydroxy-3-(3-methylmorpholin-4-yl)pentanimidamide
CID 43542175
3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide
CID 43544637
3-(2-ethylmorpholin-4-yl)-N'-hydroxypentanimidamide
CID 43562714
N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide
CID 43611238
N'-hydroxy-4-[methyl(oxan-4-yl)amino]butanimidamide
CID 43611239
N'-hydroxy-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611241

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide (CID 43611242) is N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(C)C1CCOCC1.
What is the InChIKey of N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide?
The InChIKey is LTHVHOSCAZJLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-9(8-11(12)13-15)14(2)10-4-6-16-7-5-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide?
N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide is sourced from PubChem (CID 43611242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).