(E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride

C6H13ClN2O — CID 134163223

IUPAC(E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride
SMILESCN(C)C(=O)/C=C/CN.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-8(2)6(9)4-3-5-7;/h3-4H,5,7H2,1-2H3;1H/b4-3+;
InChIKeyNHMFYFNWVDQVSA-BJILWQEISA-N
MW164.64 g/mol
LogP0.01
Rot. Bonds2

About (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride

(E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride (PubChem CID 134163223) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride
PubChem CID134163223
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride
SMILESCN(C)C(=O)/C=C/CN.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-8(2)6(9)4-3-5-7;/h3-4H,5,7H2,1-2H3;1H/b4-3+;
InChIKeyNHMFYFNWVDQVSA-BJILWQEISA-N
XLogP0.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.01
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-amino-N,N-dimethylbut-2-enamide;hydrochloride?
The IUPAC name of (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride (CID 134163223) is (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride.
What is the SMILES notation for (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride?
The canonical SMILES for (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride is CN(C)C(=O)/C=C/CN.Cl.
What is the InChIKey of (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride?
The InChIKey is NHMFYFNWVDQVSA-BJILWQEISA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-8(2)6(9)4-3-5-7;/h3-4H,5,7H2,1-2H3;1H/b4-3+;.
What are the key properties of (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride?
(E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N,N-dimethylbut-2-enamide;hydrochloride is sourced from PubChem (CID 134163223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).