(E)-5-(dimethylamino)-N-methylhex-2-enamide

C9H18N2O — CID 44570054

IUPAC(E)-5-(dimethylamino)-N-methylhex-2-enamide
SMILESCNC(=O)/C=C/CC(C)N(C)C
InChIInChI=1S/C9H18N2O/c1-8(11(3)4)6-5-7-9(12)10-2/h5,7-8H,6H2,1-4H3,(H,10,12)/b7-5+
InChIKeyKKCIBJWYLJAXIA-FNORWQNLSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds4

About (E)-5-(dimethylamino)-N-methylhex-2-enamide

(E)-5-(dimethylamino)-N-methylhex-2-enamide (PubChem CID 44570054) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-N-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-N-methylhex-2-enamide
PubChem CID44570054
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(E)-5-(dimethylamino)-N-methylhex-2-enamide
SMILESCNC(=O)/C=C/CC(C)N(C)C
InChIInChI=1S/C9H18N2O/c1-8(11(3)4)6-5-7-9(12)10-2/h5,7-8H,6H2,1-4H3,(H,10,12)/b7-5+
InChIKeyKKCIBJWYLJAXIA-FNORWQNLSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-(dimethylamino)-N-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)-5-(dimethylamino)-N-methylhex-2-enamide?
The IUPAC name of (E)-5-(dimethylamino)-N-methylhex-2-enamide (CID 44570054) is (E)-5-(dimethylamino)-N-methylhex-2-enamide.
What is the SMILES notation for (E)-5-(dimethylamino)-N-methylhex-2-enamide?
The canonical SMILES for (E)-5-(dimethylamino)-N-methylhex-2-enamide is CNC(=O)/C=C/CC(C)N(C)C.
What is the InChIKey of (E)-5-(dimethylamino)-N-methylhex-2-enamide?
The InChIKey is KKCIBJWYLJAXIA-FNORWQNLSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(11(3)4)6-5-7-9(12)10-2/h5,7-8H,6H2,1-4H3,(H,10,12)/b7-5+.
What are the key properties of (E)-5-(dimethylamino)-N-methylhex-2-enamide?
(E)-5-(dimethylamino)-N-methylhex-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-N-methylhex-2-enamide is sourced from PubChem (CID 44570054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).