N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide

C11H23N3O3 — CID 113450352

IUPACN'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide
SMILESCOC1(CNCCCCC(N)=NO)CCOC1
InChIInChI=1S/C11H23N3O3/c1-16-11(5-7-17-9-11)8-13-6-3-2-4-10(12)14-15/h13,15H,2-9H2,1H3,(H2,12,14)
InChIKeyZFBSRKQSJYJSBU-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.30
Rot. Bonds8

About N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide

N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide (PubChem CID 113450352) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide
PubChem CID113450352
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide
SMILESCOC1(CNCCCCC(N)=NO)CCOC1
InChIInChI=1S/C11H23N3O3/c1-16-11(5-7-17-9-11)8-13-6-3-2-4-10(12)14-15/h13,15H,2-9H2,1H3,(H2,12,14)
InChIKeyZFBSRKQSJYJSBU-UHFFFAOYSA-N
XLogP0.30
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide
CID 103370159
N'-hydroxy-5-[(2-methyloxolan-2-yl)methylamino]pentanimidamide
CID 80177519
N'-hydroxy-4-[(2-methyloxolan-2-yl)methylamino]butanimidamide
CID 80178944
N'-hydroxy-3-[(2-methyloxolan-2-yl)methylamino]propanimidamide
CID 80179142
N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
N-[(3-methoxyoxolan-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 104760801
N-[(3-methoxyoxolan-3-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 104760890
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762084
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 104762085
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
CID 104762093
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide
CID 104762095

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide (CID 113450352) is N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide is COC1(CNCCCCC(N)=NO)CCOC1.
What is the InChIKey of N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide?
The InChIKey is ZFBSRKQSJYJSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-16-11(5-7-17-9-11)8-13-6-3-2-4-10(12)14-15/h13,15H,2-9H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide?
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide has a molecular weight of 245.32 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide is sourced from PubChem (CID 113450352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).