5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

C13H29N3O2 — CID 77064060

IUPAC5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCCCOCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O2/c1-4-5-10-18-11-9-15-8-6-7-13(2,3)12(14)16-17/h15,17H,4-11H2,1-3H3,(H2,14,16)
InChIKeyGPWBVQUWKYQZLF-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.95
Rot. Bonds11

About 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064060) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064060
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCCCOCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O2/c1-4-5-10-18-11-9-15-8-6-7-13(2,3)12(14)16-17/h15,17H,4-11H2,1-3H3,(H2,14,16)
InChIKeyGPWBVQUWKYQZLF-UHFFFAOYSA-N
XLogP1.95
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064060) is 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is CCCCOCCNCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is GPWBVQUWKYQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-4-5-10-18-11-9-15-8-6-7-13(2,3)12(14)16-17/h15,17H,4-11H2,1-3H3,(H2,14,16).
What are the key properties of 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 259.39 g/mol, XLogP of 1.95, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).