4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

C11H25N3O2 — CID 77062307

IUPAC4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCOCCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-4-16-9-5-7-13-8-6-11(2,3)10(12)14-15/h13,15H,4-9H2,1-3H3,(H2,12,14)
InChIKeyNWAHMYXEDALJAS-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.17
Rot. Bonds9

About 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062307) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062307
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCOCCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-4-16-9-5-7-13-8-6-11(2,3)10(12)14-15/h13,15H,4-9H2,1-3H3,(H2,12,14)
InChIKeyNWAHMYXEDALJAS-UHFFFAOYSA-N
XLogP1.17
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.17
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 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062307) is 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CCOCCCNCCC(C)(C)C(N)=NO.
What is the InChIKey of 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is NWAHMYXEDALJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-16-9-5-7-13-8-6-11(2,3)10(12)14-15/h13,15H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).