N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide

C11H25N3O2 — CID 77032406

IUPACN'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(CO)CC(C)C
InChIInChI=1S/C11H25N3O2/c1-4-9(6-11(12)14-16)13-10(7-15)5-8(2)3/h8-10,13,15-16H,4-7H2,1-3H3,(H2,12,14)
InChIKeyMIMXJRGYLULHHQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.90
Rot. Bonds8

About N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide

N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide (PubChem CID 77032406) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide
PubChem CID77032406
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(CO)CC(C)C
InChIInChI=1S/C11H25N3O2/c1-4-9(6-11(12)14-16)13-10(7-15)5-8(2)3/h8-10,13,15-16H,4-7H2,1-3H3,(H2,12,14)
InChIKeyMIMXJRGYLULHHQ-UHFFFAOYSA-N
XLogP0.90
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.90
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide (CID 77032406) is N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide is CCC(CC(N)=NO)NC(CO)CC(C)C.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide?
The InChIKey is MIMXJRGYLULHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-9(6-11(12)14-16)13-10(7-15)5-8(2)3/h8-10,13,15-16H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide?
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.90, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 77032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).