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

C10H23N3O2 — CID 77031963

IUPACN'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide
SMILESCC(C)CC(CO)NCC(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-7(2)4-9(6-14)12-5-8(3)10(11)13-15/h7-9,12,14-15H,4-6H2,1-3H3,(H2,11,13)
InChIKeyFSXYNKABLDYABT-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.37
Rot. Bonds7

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

N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide (PubChem CID 77031963) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide
PubChem CID77031963
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide
SMILESCC(C)CC(CO)NCC(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-7(2)4-9(6-14)12-5-8(3)10(11)13-15/h7-9,12,14-15H,4-6H2,1-3H3,(H2,11,13)
InChIKeyFSXYNKABLDYABT-UHFFFAOYSA-N
XLogP0.37
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.37
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]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide (CID 77031963) is N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide is CC(C)CC(CO)NCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide?
The InChIKey is FSXYNKABLDYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-7(2)4-9(6-14)12-5-8(3)10(11)13-15/h7-9,12,14-15H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide?
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.37, 7 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]-2-methylpropanimidamide is sourced from PubChem (CID 77031963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).