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

C9H19N3O3 — CID 104762100

IUPACN'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
SMILESCOC1(CNCCC(N)=NO)CCOC1
InChIInChI=1S/C9H19N3O3/c1-14-9(3-5-15-7-9)6-11-4-2-8(10)12-13/h11,13H,2-7H2,1H3,(H2,10,12)
InChIKeyDSBQHWQFOPQYNC-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.48
Rot. Bonds6

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

N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide (PubChem CID 104762100) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
PubChem CID104762100
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
SMILESCOC1(CNCCC(N)=NO)CCOC1
InChIInChI=1S/C9H19N3O3/c1-14-9(3-5-15-7-9)6-11-4-2-8(10)12-13/h11,13H,2-7H2,1H3,(H2,10,12)
InChIKeyDSBQHWQFOPQYNC-UHFFFAOYSA-N
XLogP-0.48
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.48
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
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101833
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
N'-hydroxy-2-methyl-3-(oxolan-3-ylmethylamino)propanimidamide
CID 77032252
N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
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
N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 104762096
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762098

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide (CID 104762100) is N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide is COC1(CNCCC(N)=NO)CCOC1.
What is the InChIKey of N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide?
The InChIKey is DSBQHWQFOPQYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-14-9(3-5-15-7-9)6-11-4-2-8(10)12-13/h11,13H,2-7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide?
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide has a molecular weight of 217.27 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide is sourced from PubChem (CID 104762100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).