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

C10H21N3O3 — CID 106101865

IUPACN'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
SMILESCC(CC(N)=NO)NCC1(O)CCOC1C
InChIInChI=1S/C10H21N3O3/c1-7(5-9(11)13-15)12-6-10(14)3-4-16-8(10)2/h7-8,12,14-15H,3-6H2,1-2H3,(H2,11,13)
InChIKeyTUEWEHJRYPUZGC-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.36
Rot. Bonds5

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

N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide (PubChem CID 106101865) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
PubChem CID106101865
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
SMILESCC(CC(N)=NO)NCC1(O)CCOC1C
InChIInChI=1S/C10H21N3O3/c1-7(5-9(11)13-15)12-6-10(14)3-4-16-8(10)2/h7-8,12,14-15H,3-6H2,1-2H3,(H2,11,13)
InChIKeyTUEWEHJRYPUZGC-UHFFFAOYSA-N
XLogP-0.36
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
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-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101863
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]butanimidamide
CID 81130557
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
CID 81131074
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide
CID 104762095
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762098
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762100
3-[(2,3-dimethyloxolan-3-yl)amino]-N'-hydroxybutanimidamide
CID 105663825
N'-hydroxy-3-[(2-methyloxolan-3-yl)methylamino]butanimidamide
CID 105739438
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol
CID 106101014
2-Methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106101039
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]propanimidamide
CID 106101826
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]butanimidamide
CID 106101836

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide (CID 106101865) is N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide is CC(CC(N)=NO)NCC1(O)CCOC1C.
What is the InChIKey of N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide?
The InChIKey is TUEWEHJRYPUZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(5-9(11)13-15)12-6-10(14)3-4-16-8(10)2/h7-8,12,14-15H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide?
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide is sourced from PubChem (CID 106101865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).