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

C9H18N2O — CID 15120180

IUPAC(E)-6-(dimethylamino)-2-methylhex-2-enamide
SMILESC/C(=C\CCCN(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)/b8-6+
InChIKeyFLCAEMBIQVZWIF-SOFGYWHQSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds5

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

(E)-6-(dimethylamino)-2-methylhex-2-enamide (PubChem CID 15120180) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (E)-6-(dimethylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-6-(dimethylamino)-2-methylhex-2-enamide
PubChem CID15120180
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(E)-6-(dimethylamino)-2-methylhex-2-enamide
SMILESC/C(=C\CCCN(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)/b8-6+
InChIKeyFLCAEMBIQVZWIF-SOFGYWHQSA-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'}

Analyze (E)-6-(dimethylamino)-2-methylhex-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-6-(dimethylamino)-2-methylhex-2-enamide?
The IUPAC name of (E)-6-(dimethylamino)-2-methylhex-2-enamide (CID 15120180) is (E)-6-(dimethylamino)-2-methylhex-2-enamide.
What is the SMILES notation for (E)-6-(dimethylamino)-2-methylhex-2-enamide?
The canonical SMILES for (E)-6-(dimethylamino)-2-methylhex-2-enamide is C/C(=C\CCCN(C)C)C(N)=O.
What is the InChIKey of (E)-6-(dimethylamino)-2-methylhex-2-enamide?
The InChIKey is FLCAEMBIQVZWIF-SOFGYWHQSA-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)/b8-6+.
What are the key properties of (E)-6-(dimethylamino)-2-methylhex-2-enamide?
(E)-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 (E)-6-(dimethylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 15120180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).