ethyl-dimethyl-propylazanium;2-methylprop-2-enamide

C11H25N2O+ — CID 19752027

IUPACethyl-dimethyl-propylazanium;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCC[N+](C)(C)CC
InChIInChI=1S/C7H18N.C4H7NO/c1-5-7-8(3,4)6-2;1-3(2)4(5)6/h5-7H2,1-4H3;1H2,2H3,(H2,5,6)/q+1;
InChIKeyLFWWRVYMSRQVJO-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.54
Rot. Bonds4

About ethyl-dimethyl-propylazanium;2-methylprop-2-enamide

ethyl-dimethyl-propylazanium;2-methylprop-2-enamide (PubChem CID 19752027) has the molecular formula C11H25N2O+ and a molecular weight of 201.33 g/mol. Its IUPAC name is ethyl-dimethyl-propylazanium;2-methylprop-2-enamide.

Molecular Properties

Compound Nameethyl-dimethyl-propylazanium;2-methylprop-2-enamide
PubChem CID19752027
Molecular FormulaC11H25N2O+
Molecular Weight201.33 g/mol
Exact Mass201.20
IUPAC Nameethyl-dimethyl-propylazanium;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCC[N+](C)(C)CC
InChIInChI=1S/C7H18N.C4H7NO/c1-5-7-8(3,4)6-2;1-3(2)4(5)6/h5-7H2,1-4H3;1H2,2H3,(H2,5,6)/q+1;
InChIKeyLFWWRVYMSRQVJO-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-propylazanium;2-methylprop-2-enamide?
The IUPAC name of ethyl-dimethyl-propylazanium;2-methylprop-2-enamide (CID 19752027) is ethyl-dimethyl-propylazanium;2-methylprop-2-enamide.
What is the SMILES notation for ethyl-dimethyl-propylazanium;2-methylprop-2-enamide?
The canonical SMILES for ethyl-dimethyl-propylazanium;2-methylprop-2-enamide is C=C(C)C(N)=O.CCC[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-propylazanium;2-methylprop-2-enamide?
The InChIKey is LFWWRVYMSRQVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.C4H7NO/c1-5-7-8(3,4)6-2;1-3(2)4(5)6/h5-7H2,1-4H3;1H2,2H3,(H2,5,6)/q+1;.
What are the key properties of ethyl-dimethyl-propylazanium;2-methylprop-2-enamide?
ethyl-dimethyl-propylazanium;2-methylprop-2-enamide has a molecular weight of 201.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-propylazanium;2-methylprop-2-enamide is sourced from PubChem (CID 19752027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).