dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium

C11H23N2O+ — CID 140958393

IUPACdimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium
SMILESC=C(C)C(=O)NC(C)[N+](C)(C)CCC
InChIInChI=1S/C11H22N2O/c1-7-8-13(5,6)10(4)12-11(14)9(2)3/h10H,2,7-8H2,1,3-6H3/p+1
InChIKeySXFYDJRPEFJSEW-UHFFFAOYSA-O
MW199.32 g/mol
LogP1.51
Rot. Bonds5

About dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium

dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium (PubChem CID 140958393) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium.

Molecular Properties

Compound Namedimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium
PubChem CID140958393
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Namedimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium
SMILESC=C(C)C(=O)NC(C)[N+](C)(C)CCC
InChIInChI=1S/C11H22N2O/c1-7-8-13(5,6)10(4)12-11(14)9(2)3/h10H,2,7-8H2,1,3-6H3/p+1
InChIKeySXFYDJRPEFJSEW-UHFFFAOYSA-O
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium?
The IUPAC name of dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium (CID 140958393) is dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium.
What is the SMILES notation for dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium?
The canonical SMILES for dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium is C=C(C)C(=O)NC(C)[N+](C)(C)CCC.
What is the InChIKey of dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium?
The InChIKey is SXFYDJRPEFJSEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-7-8-13(5,6)10(4)12-11(14)9(2)3/h10H,2,7-8H2,1,3-6H3/p+1.
What are the key properties of dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium?
dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium has a molecular weight of 199.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium is sourced from PubChem (CID 140958393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).