N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide

C11H25N3O2 — CID 77031325

IUPACN'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide
SMILESCC(C)CCOCCNCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-10(2)5-8-16-9-7-13-6-3-4-11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14)
InChIKeyGBOHKSCOBWNVJV-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.17
Rot. Bonds10

About N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide

N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide (PubChem CID 77031325) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide
PubChem CID77031325
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide
SMILESCC(C)CCOCCNCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-10(2)5-8-16-9-7-13-6-3-4-11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14)
InChIKeyGBOHKSCOBWNVJV-UHFFFAOYSA-N
XLogP1.17
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
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 N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide (CID 77031325) is N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide is CC(C)CCOCCNCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide?
The InChIKey is GBOHKSCOBWNVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-10(2)5-8-16-9-7-13-6-3-4-11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide?
N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.17, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(3-methylbutoxy)ethylamino]butanimidamide is sourced from PubChem (CID 77031325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).