N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide

C10H21N3O2 — CID 104940499

IUPACN'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide
SMILESCCC(NC1CC(O)C1(C)C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-4-6(9(11)13-15)12-7-5-8(14)10(7,2)3/h6-8,12,14-15H,4-5H2,1-3H3,(H2,11,13)
InChIKeyDQZDWAHOVAQJLM-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.26
Rot. Bonds4

About N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide

N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide (PubChem CID 104940499) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide
PubChem CID104940499
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide
SMILESCCC(NC1CC(O)C1(C)C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-4-6(9(11)13-15)12-7-5-8(14)10(7,2)3/h6-8,12,14-15H,4-5H2,1-3H3,(H2,11,13)
InChIKeyDQZDWAHOVAQJLM-UHFFFAOYSA-N
XLogP0.26
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.26
H-Bond Donors ≤ 54
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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide
CID 103370233
N'-hydroxy-5-(3-hydroxybutylamino)-2,2-dimethylpentanimidamide
CID 77063259
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]butanimidamide
CID 77104906
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]propanimidamide
CID 77104922
N'-hydroxy-2-[1-[[(3-hydroxycyclobutyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77109838
N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide
CID 77109855
N'-hydroxy-2-[(3-hydroxycyclobutyl)amino]butanimidamide
CID 77109866
N'-hydroxy-5-[(3-hydroxycyclobutyl)amino]-2,2-dimethylpentanimidamide
CID 77109884
N'-hydroxy-4-[(3-hydroxycyclobutyl)amino]-2,2-dimethylbutanimidamide
CID 77109975
N'-hydroxy-5-[(3-hydroxycyclobutyl)amino]pentanimidamide
CID 77109978
N'-hydroxy-3-[(3-hydroxycyclobutyl)methylamino]butanimidamide
CID 77111117
N'-hydroxy-3-[(3-hydroxycyclobutyl)methylamino]pentanimidamide
CID 77111139

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide (CID 104940499) is N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide is CCC(NC1CC(O)C1(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide?
The InChIKey is DQZDWAHOVAQJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-6(9(11)13-15)12-7-5-8(14)10(7,2)3/h6-8,12,14-15H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide?
N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide is sourced from PubChem (CID 104940499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).