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

C10H21N3O3 — CID 104762103

IUPACN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
SMILESCCC(NCC1(OC)CCOC1)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-3-8(9(11)13-14)12-6-10(15-2)4-5-16-7-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13)
InChIKeyLJQOEMNYZMFDEW-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.09
Rot. Bonds6

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

N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide (PubChem CID 104762103) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
PubChem CID104762103
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
SMILESCCC(NCC1(OC)CCOC1)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-3-8(9(11)13-14)12-6-10(15-2)4-5-16-7-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13)
InChIKeyLJQOEMNYZMFDEW-UHFFFAOYSA-N
XLogP-0.09
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.09
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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide
CID 103370159
N'-hydroxy-2-(oxolan-3-ylmethylamino)butanimidamide
CID 77032698
N'-hydroxy-2-(oxolan-3-ylmethylamino)propanimidamide
CID 77032844
N'-hydroxy-2-(oxolan-3-ylamino)butanimidamide
CID 80713036
N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide
CID 82728599
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-3-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762098
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762099

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide (CID 104762103) is N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide is CCC(NCC1(OC)CCOC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide?
The InChIKey is LJQOEMNYZMFDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-3-8(9(11)13-14)12-6-10(15-2)4-5-16-7-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide?
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.09, 6 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]butanimidamide is sourced from PubChem (CID 104762103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).