(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide

C12H24N2O — CID 59860474

IUPAC(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide
SMILESCN(C)C/C=C/C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)10-14(6)11(15)8-7-9-13(4)5/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyZVVDTTYQUGYPTC-BQYQJAHWSA-N
MW212.34 g/mol
LogP1.61
Rot. Bonds4

About (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide

(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide (PubChem CID 59860474) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide
PubChem CID59860474
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide
SMILESCN(C)C/C=C/C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)10-14(6)11(15)8-7-9-13(4)5/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyZVVDTTYQUGYPTC-BQYQJAHWSA-N
XLogP1.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide (CID 59860474) is (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide is CN(C)C/C=C/C(=O)N(C)CC(C)(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide?
The InChIKey is ZVVDTTYQUGYPTC-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)10-14(6)11(15)8-7-9-13(4)5/h7-8H,9-10H2,1-6H3/b8-7+.
What are the key properties of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide?
(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide is sourced from PubChem (CID 59860474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).