4-hydroxy-3,5-dimethylhexanimidamide

C8H18N2O — CID 158806368

IUPAC4-hydroxy-3,5-dimethylhexanimidamide
SMILES[H]/N=C(\N)CC(C)C(O)C(C)C
InChIInChI=1S/C8H18N2O/c1-5(2)8(11)6(3)4-7(9)10/h5-6,8,11H,4H2,1-3H3,(H3,9,10)
InChIKeyVDGIRFQIZRILPW-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.97
Rot. Bonds4

About 4-hydroxy-3,5-dimethylhexanimidamide

4-hydroxy-3,5-dimethylhexanimidamide (PubChem CID 158806368) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethylhexanimidamide.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethylhexanimidamide
PubChem CID158806368
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-hydroxy-3,5-dimethylhexanimidamide
SMILES[H]/N=C(\N)CC(C)C(O)C(C)C
InChIInChI=1S/C8H18N2O/c1-5(2)8(11)6(3)4-7(9)10/h5-6,8,11H,4H2,1-3H3,(H3,9,10)
InChIKeyVDGIRFQIZRILPW-UHFFFAOYSA-N
XLogP0.97
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.97
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 4-hydroxy-3,5-dimethylhexanimidamide?
The IUPAC name of 4-hydroxy-3,5-dimethylhexanimidamide (CID 158806368) is 4-hydroxy-3,5-dimethylhexanimidamide.
What is the SMILES notation for 4-hydroxy-3,5-dimethylhexanimidamide?
The canonical SMILES for 4-hydroxy-3,5-dimethylhexanimidamide is [H]/N=C(\N)CC(C)C(O)C(C)C.
What is the InChIKey of 4-hydroxy-3,5-dimethylhexanimidamide?
The InChIKey is VDGIRFQIZRILPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5(2)8(11)6(3)4-7(9)10/h5-6,8,11H,4H2,1-3H3,(H3,9,10).
What are the key properties of 4-hydroxy-3,5-dimethylhexanimidamide?
4-hydroxy-3,5-dimethylhexanimidamide has a molecular weight of 158.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethylhexanimidamide is sourced from PubChem (CID 158806368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).