(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide

C10H20N2O — CID 134295928

IUPAC(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)/C=C/CNC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-10(2,3)11-8-6-7-9(13)12(4)5/h6-7,11H,8H2,1-5H3/b7-6+
InChIKeyZGOWZVQEVAQXGB-VOTSOKGWSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds3

About (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide

(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide (PubChem CID 134295928) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
PubChem CID134295928
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)/C=C/CNC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-10(2,3)11-8-6-7-9(13)12(4)5/h6-7,11H,8H2,1-5H3/b7-6+
InChIKeyZGOWZVQEVAQXGB-VOTSOKGWSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
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-(tert-butylamino)-N,N-dimethylbut-2-enamide?
The IUPAC name of (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide (CID 134295928) is (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide.
What is the SMILES notation for (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide?
The canonical SMILES for (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide is CN(C)C(=O)/C=C/CNC(C)(C)C.
What is the InChIKey of (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide?
The InChIKey is ZGOWZVQEVAQXGB-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)11-8-6-7-9(13)12(4)5/h6-7,11H,8H2,1-5H3/b7-6+.
What are the key properties of (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide?
(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 134295928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).