hexanamide;dihydrochloride

C6H15Cl2NO — CID 22563872

IUPAChexanamide;dihydrochloride
SMILESCCCCCC(N)=O.Cl.Cl
InChIInChI=1S/C6H13NO.2ClH/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H2,7,8);2*1H
InChIKeyXGUFRJDLLIMYOT-UHFFFAOYSA-N
MW188.10 g/mol
LogP1.90
Rot. Bonds4

About hexanamide;dihydrochloride

hexanamide;dihydrochloride (PubChem CID 22563872) has the molecular formula C6H15Cl2NO and a molecular weight of 188.10 g/mol. Its IUPAC name is hexanamide;dihydrochloride.

Molecular Properties

Compound Namehexanamide;dihydrochloride
PubChem CID22563872
Molecular FormulaC6H15Cl2NO
Molecular Weight188.10 g/mol
Exact Mass187.05
IUPAC Namehexanamide;dihydrochloride
SMILESCCCCCC(N)=O.Cl.Cl
InChIInChI=1S/C6H13NO.2ClH/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H2,7,8);2*1H
InChIKeyXGUFRJDLLIMYOT-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexanamide;dihydrochloride?
The IUPAC name of hexanamide;dihydrochloride (CID 22563872) is hexanamide;dihydrochloride.
What is the SMILES notation for hexanamide;dihydrochloride?
The canonical SMILES for hexanamide;dihydrochloride is CCCCCC(N)=O.Cl.Cl.
What is the InChIKey of hexanamide;dihydrochloride?
The InChIKey is XGUFRJDLLIMYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.2ClH/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H2,7,8);2*1H.
What are the key properties of hexanamide;dihydrochloride?
hexanamide;dihydrochloride has a molecular weight of 188.10 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexanamide;dihydrochloride is sourced from PubChem (CID 22563872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).