5-hydroxy-5-methylhexanimidamide

C7H16N2O — CID 159996634

IUPAC5-hydroxy-5-methylhexanimidamide
SMILES[H]/N=C(\N)CCCC(C)(C)O
InChIInChI=1S/C7H16N2O/c1-7(2,10)5-3-4-6(8)9/h10H,3-5H2,1-2H3,(H3,8,9)
InChIKeyIYHIARIAZTTWIW-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.86
Rot. Bonds4

About 5-hydroxy-5-methylhexanimidamide

5-hydroxy-5-methylhexanimidamide (PubChem CID 159996634) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 5-hydroxy-5-methylhexanimidamide.

Molecular Properties

Compound Name5-hydroxy-5-methylhexanimidamide
PubChem CID159996634
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name5-hydroxy-5-methylhexanimidamide
SMILES[H]/N=C(\N)CCCC(C)(C)O
InChIInChI=1S/C7H16N2O/c1-7(2,10)5-3-4-6(8)9/h10H,3-5H2,1-2H3,(H3,8,9)
InChIKeyIYHIARIAZTTWIW-UHFFFAOYSA-N
XLogP0.86
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methylhexanimidamide?
The IUPAC name of 5-hydroxy-5-methylhexanimidamide (CID 159996634) is 5-hydroxy-5-methylhexanimidamide.
What is the SMILES notation for 5-hydroxy-5-methylhexanimidamide?
The canonical SMILES for 5-hydroxy-5-methylhexanimidamide is [H]/N=C(\N)CCCC(C)(C)O.
What is the InChIKey of 5-hydroxy-5-methylhexanimidamide?
The InChIKey is IYHIARIAZTTWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2,10)5-3-4-6(8)9/h10H,3-5H2,1-2H3,(H3,8,9).
What are the key properties of 5-hydroxy-5-methylhexanimidamide?
5-hydroxy-5-methylhexanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methylhexanimidamide is sourced from PubChem (CID 159996634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).