N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride

C9H19ClN2O — CID 177845413

IUPACN-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride
SMILESCCN(CC)CNC(=O)C(=C)C.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-5-11(6-2)7-10-9(12)8(3)4;/h3,5-7H2,1-2,4H3,(H,10,12);1H
InChIKeyUSFJYUNCZVGXNR-UHFFFAOYSA-N
MW206.71 g/mol
LogP—
Rot. Bonds5

About N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride

N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride (PubChem CID 177845413) has the molecular formula C9H19ClN2O and a molecular weight of 206.71 g/mol. Its IUPAC name is N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride
PubChem CID177845413
Molecular FormulaC9H19ClN2O
Molecular Weight206.71 g/mol
Exact Mass206.12
IUPAC NameN-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride
SMILESCCN(CC)CNC(=O)C(=C)C.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-5-11(6-2)7-10-9(12)8(3)4;/h3,5-7H2,1-2,4H3,(H,10,12);1H
InChIKeyUSFJYUNCZVGXNR-UHFFFAOYSA-N
XLogP—
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity162

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-Methylenebismethacrylamide
CID 75381
N-[(Dibutylamino)methyl]methacrylamide
CID 3021949
Methacrylamido propyl trimethylammonium chloride
CID 10192685
Trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
CID 10466073
N-((Diethylamino)methyl)methacrylamide
CID 82447
N,N'-(3-methylbutylidene)bismethacrylamide
CID 113490
N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide
CID 3017753
N-[(dimethylamino)methyl]prop-2-enamide;dimethyl-bis(prop-2-enyl)azanium;chloride
CID 44150303
Dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium
CID 10192686
Trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 10466072
Trimethyl-[1-(prop-2-enoylamino)propyl]azanium chloride
CID 11160059
N-[(Dimethylamino)methyl]-2-methylprop-2-enamide
CID 13742947

Frequently Asked Questions

What is the IUPAC name of N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride?
The IUPAC name of N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride (CID 177845413) is N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride.
What is the SMILES notation for N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride?
The canonical SMILES for N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride is CCN(CC)CNC(=O)C(=C)C.Cl.
What is the InChIKey of N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride?
The InChIKey is USFJYUNCZVGXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-5-11(6-2)7-10-9(12)8(3)4;/h3,5-7H2,1-2,4H3,(H,10,12);1H.
What are the key properties of N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride?
N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride has a molecular weight of 206.71 g/mol, XLogP of not available, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride is sourced from PubChem (CID 177845413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).