N'-hydroxy-3-methylhexanimidamide

C7H16N2O — CID 76589131

IUPACN'-hydroxy-3-methylhexanimidamide
SMILESCCCC(C)CC(N)=NO
InChIInChI=1S/C7H16N2O/c1-3-4-6(2)5-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyIIWJWYTXIYAIFO-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.56
Rot. Bonds4

About N'-hydroxy-3-methylhexanimidamide

N'-hydroxy-3-methylhexanimidamide (PubChem CID 76589131) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-hydroxy-3-methylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methylhexanimidamide
PubChem CID76589131
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-hydroxy-3-methylhexanimidamide
SMILESCCCC(C)CC(N)=NO
InChIInChI=1S/C7H16N2O/c1-3-4-6(2)5-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyIIWJWYTXIYAIFO-UHFFFAOYSA-N
XLogP1.56
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylhexanimidamide?
The IUPAC name of N'-hydroxy-3-methylhexanimidamide (CID 76589131) is N'-hydroxy-3-methylhexanimidamide.
What is the SMILES notation for N'-hydroxy-3-methylhexanimidamide?
The canonical SMILES for N'-hydroxy-3-methylhexanimidamide is CCCC(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-methylhexanimidamide?
The InChIKey is IIWJWYTXIYAIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-4-6(2)5-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-methylhexanimidamide?
N'-hydroxy-3-methylhexanimidamide has a molecular weight of 144.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methylhexanimidamide is sourced from PubChem (CID 76589131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).