N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide

C7H17N3O2 — CID 60961042

IUPACN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide
SMILESCC(C/C(N)=N/O)N(C)CCO
InChIInChI=1S/C7H17N3O2/c1-6(5-7(8)9-12)10(2)3-4-11/h6,11-12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyYIROYPNQJQZLAA-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.56
Rot. Bonds5

About N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide

N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide (PubChem CID 60961042) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide
PubChem CID60961042
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide
SMILESCC(C/C(N)=N/O)N(C)CCO
InChIInChI=1S/C7H17N3O2/c1-6(5-7(8)9-12)10(2)3-4-11/h6,11-12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyYIROYPNQJQZLAA-UHFFFAOYSA-N
XLogP-0.56
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480136
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480149
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480153
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480164
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480175
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480178
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]propanimidamide
CID 113807955
3-[Bis(2-hydroxyethyl)amino]propanimidamide
CID 34178668
N'-hydroxy-3-[2-methoxyethyl(methyl)amino]propanimidamide
CID 43186215
N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide
CID 54985687
N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]butanimidamide
CID 54985688
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54993937

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide (CID 60961042) is N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide is CC(C/C(N)=N/O)N(C)CCO.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide?
The InChIKey is YIROYPNQJQZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-6(5-7(8)9-12)10(2)3-4-11/h6,11-12H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide?
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide is sourced from PubChem (CID 60961042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).