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

C8H19N3O2 — CID 77032257

IUPACN'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide
SMILESCC(C)CC(CO)NCC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-6(2)3-7(5-12)10-4-8(9)11-13/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11)
InChIKeySPNYSXBJZIXKRT-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.27
Rot. Bonds6

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

N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide (PubChem CID 77032257) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide
PubChem CID77032257
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide
SMILESCC(C)CC(CO)NCC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-6(2)3-7(5-12)10-4-8(9)11-13/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11)
InChIKeySPNYSXBJZIXKRT-UHFFFAOYSA-N
XLogP-0.27
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.27
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-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide (CID 77032257) is N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide is CC(C)CC(CO)NCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide?
The InChIKey is SPNYSXBJZIXKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-6(2)3-7(5-12)10-4-8(9)11-13/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide?
N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]ethanimidamide is sourced from PubChem (CID 77032257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).