5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide

C11H24N2O2 — CID 77063336

IUPAC5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCC(C)OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H24N2O2/c1-5-9(2)15-8-6-7-11(3,4)10(12)13-14/h9,14H,5-8H2,1-4H3,(H2,12,13)
InChIKeyYDUGWAOSHLRQBV-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.35
Rot. Bonds7

About 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide

5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063336) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063336
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCC(C)OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H24N2O2/c1-5-9(2)15-8-6-7-11(3,4)10(12)13-14/h9,14H,5-8H2,1-4H3,(H2,12,13)
InChIKeyYDUGWAOSHLRQBV-UHFFFAOYSA-N
XLogP2.35
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2,2-dimethyl-6-octan-2-yloxyhexanimidamide
CID 106711793
N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
CID 77063203
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
CID 104562250
N'-hydroxy-5-(2-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
CID 104762047
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
3-butan-2-yloxy-N'-hydroxypropanimidamide
CID 60904690
N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
CID 77061866
N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
CID 77063572
N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide
CID 77062773

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063336) is 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide is CCC(C)OCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is YDUGWAOSHLRQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-9(2)15-8-6-7-11(3,4)10(12)13-14/h9,14H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide?
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 216.32 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).