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

C11H23N3O3 — CID 104985396

IUPACN'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide
SMILESCN(CCCC(N)=NO)CC1(O)CCOCC1
InChIInChI=1S/C11H23N3O3/c1-14(6-2-3-10(12)13-16)9-11(15)4-7-17-8-5-11/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyWSZISVKDKOCHKX-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.01
Rot. Bonds6

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

N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide (PubChem CID 104985396) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide
PubChem CID104985396
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide
SMILESCN(CCCC(N)=NO)CC1(O)CCOCC1
InChIInChI=1S/C11H23N3O3/c1-14(6-2-3-10(12)13-16)9-11(15)4-7-17-8-5-11/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyWSZISVKDKOCHKX-UHFFFAOYSA-N
XLogP-0.01
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.01
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-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide 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-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanimidamide
CID 103370017
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
CID 103370241
3,3,3-Trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
CID 103370841
N'-hydroxy-3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
CID 55171331
N'-hydroxy-3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76210941
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-4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76951548
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide (CID 104985396) is N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide is CN(CCCC(N)=NO)CC1(O)CCOCC1.
What is the InChIKey of N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide?
The InChIKey is WSZISVKDKOCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-14(6-2-3-10(12)13-16)9-11(15)4-7-17-8-5-11/h15-16H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide?
N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide has a molecular weight of 245.32 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide is sourced from PubChem (CID 104985396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).