N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide

C11H25N3O2 — CID 77055973

IUPACN'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide
SMILESCOCC(NCCCCC(N)=NO)C(C)C
InChIInChI=1S/C11H25N3O2/c1-9(2)10(8-16-3)13-7-5-4-6-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyBPBZDXNULUMPJB-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.16
Rot. Bonds9

About N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide

N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide (PubChem CID 77055973) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide
PubChem CID77055973
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide
SMILESCOCC(NCCCCC(N)=NO)C(C)C
InChIInChI=1S/C11H25N3O2/c1-9(2)10(8-16-3)13-7-5-4-6-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyBPBZDXNULUMPJB-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
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-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide (CID 77055973) is N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide is COCC(NCCCCC(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide?
The InChIKey is BPBZDXNULUMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-9(2)10(8-16-3)13-7-5-4-6-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide?
N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(1-methoxy-3-methylbutan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 77055973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).