N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide

C9H19N3O3 — CID 104762099

IUPACN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
SMILESCOC1(CNC(C)C(N)=NO)CCOC1
InChIInChI=1S/C9H19N3O3/c1-7(8(10)12-13)11-5-9(14-2)3-4-15-6-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12)
InChIKeyIWYPPLSUXUSSNH-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.48
Rot. Bonds5

About N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide

N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide (PubChem CID 104762099) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
PubChem CID104762099
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
SMILESCOC1(CNC(C)C(N)=NO)CCOC1
InChIInChI=1S/C9H19N3O3/c1-7(8(10)12-13)11-5-9(14-2)3-4-15-6-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12)
InChIKeyIWYPPLSUXUSSNH-UHFFFAOYSA-N
XLogP-0.48
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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': '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

2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
2-(N'-hydroxycarbamimidoyl)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutanamide
CID 104764646
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
1-(azepan-1-yl)-2-[(3-methoxyoxolan-3-yl)methylamino]propan-1-one
CID 104704791
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
CID 104759780
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104704764
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
ethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanoate
CID 104760859
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide (CID 104762099) is N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide is COC1(CNC(C)C(N)=NO)CCOC1.
What is the InChIKey of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide?
The InChIKey is IWYPPLSUXUSSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(8(10)12-13)11-5-9(14-2)3-4-15-6-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide?
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide has a molecular weight of 217.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide is sourced from PubChem (CID 104762099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).