N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide

C11H25N3O — CID 77061866

IUPACN'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
SMILESCCC(CC)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-5-9(6-2)13-8-7-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14)
InChIKeyLGMMDUFQDWRRSD-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.93
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide (PubChem CID 77061866) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
PubChem CID77061866
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
SMILESCCC(CC)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-5-9(6-2)13-8-7-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14)
InChIKeyLGMMDUFQDWRRSD-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N'-hydroxy-4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 79249626
4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062756
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-2,2-dimethyl-6-(4-methylhexan-2-ylamino)hexanimidamide
CID 106711358
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104871369
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77063628
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
CID 83144600
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
N'-hydroxy-4-[(2-hydroxy-3-methylbutyl)amino]-2,2-dimethylbutanimidamide
CID 104866839

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide (CID 77061866) is N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide is CCC(CC)NCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide?
The InChIKey is LGMMDUFQDWRRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-9(6-2)13-8-7-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide is sourced from PubChem (CID 77061866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).