6-(dimethylamino)hex-2-enamide

C8H16N2O — CID 54431678

IUPAC6-(dimethylamino)hex-2-enamide
SMILESCN(C)CCCC=CC(N)=O
InChIInChI=1S/C8H16N2O/c1-10(2)7-5-3-4-6-8(9)11/h4,6H,3,5,7H2,1-2H3,(H2,9,11)
InChIKeyWHXCUQODZMOLNI-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds5

About 6-(dimethylamino)hex-2-enamide

6-(dimethylamino)hex-2-enamide (PubChem CID 54431678) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 6-(dimethylamino)hex-2-enamide.

Molecular Properties

Compound Name6-(dimethylamino)hex-2-enamide
PubChem CID54431678
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name6-(dimethylamino)hex-2-enamide
SMILESCN(C)CCCC=CC(N)=O
InChIInChI=1S/C8H16N2O/c1-10(2)7-5-3-4-6-8(9)11/h4,6H,3,5,7H2,1-2H3,(H2,9,11)
InChIKeyWHXCUQODZMOLNI-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hex-2-enamide?
The IUPAC name of 6-(dimethylamino)hex-2-enamide (CID 54431678) is 6-(dimethylamino)hex-2-enamide.
What is the SMILES notation for 6-(dimethylamino)hex-2-enamide?
The canonical SMILES for 6-(dimethylamino)hex-2-enamide is CN(C)CCCC=CC(N)=O.
What is the InChIKey of 6-(dimethylamino)hex-2-enamide?
The InChIKey is WHXCUQODZMOLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10(2)7-5-3-4-6-8(9)11/h4,6H,3,5,7H2,1-2H3,(H2,9,11).
What are the key properties of 6-(dimethylamino)hex-2-enamide?
6-(dimethylamino)hex-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hex-2-enamide is sourced from PubChem (CID 54431678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).