N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide

C11H25N3O2 — CID 77062633

IUPACN'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide
SMILESCOCCC(C)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-9(5-8-16-4)13-7-6-11(2,3)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14)
InChIKeyAPNYMBUGKLSJLL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.16
Rot. Bonds8

About N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide (PubChem CID 77062633) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide
PubChem CID77062633
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide
SMILESCOCCC(C)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-9(5-8-16-4)13-7-6-11(2,3)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14)
InChIKeyAPNYMBUGKLSJLL-UHFFFAOYSA-N
XLogP1.16
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide (CID 77062633) is N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide is COCCC(C)NCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide?
The InChIKey is APNYMBUGKLSJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-9(5-8-16-4)13-7-6-11(2,3)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).