6-(dimethylamino)-2-methylhex-2-enamide

C9H18N2O — CID 20976834

IUPAC6-(dimethylamino)-2-methylhex-2-enamide
SMILESCC(=CCCCN(C)C)C(N)=O
InChIInChI=1S/C9H18N2O/c1-8(9(10)12)6-4-5-7-11(2)3/h6H,4-5,7H2,1-3H3,(H2,10,12)
InChIKeyFLCAEMBIQVZWIF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds5

About 6-(dimethylamino)-2-methylhex-2-enamide

6-(dimethylamino)-2-methylhex-2-enamide (PubChem CID 20976834) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name6-(dimethylamino)-2-methylhex-2-enamide
PubChem CID20976834
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name6-(dimethylamino)-2-methylhex-2-enamide
SMILESCC(=CCCCN(C)C)C(N)=O
InChIInChI=1S/C9H18N2O/c1-8(9(10)12)6-4-5-7-11(2)3/h6H,4-5,7H2,1-3H3,(H2,10,12)
InChIKeyFLCAEMBIQVZWIF-UHFFFAOYSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.76
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)-2-methylhex-2-enamide?
The IUPAC name of 6-(dimethylamino)-2-methylhex-2-enamide (CID 20976834) is 6-(dimethylamino)-2-methylhex-2-enamide.
What is the SMILES notation for 6-(dimethylamino)-2-methylhex-2-enamide?
The canonical SMILES for 6-(dimethylamino)-2-methylhex-2-enamide is CC(=CCCCN(C)C)C(N)=O.
What is the InChIKey of 6-(dimethylamino)-2-methylhex-2-enamide?
The InChIKey is FLCAEMBIQVZWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(9(10)12)6-4-5-7-11(2)3/h6H,4-5,7H2,1-3H3,(H2,10,12).
What are the key properties of 6-(dimethylamino)-2-methylhex-2-enamide?
6-(dimethylamino)-2-methylhex-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 20976834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).