triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium

C13H27N2O+ — CID 87943537

IUPACtriethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NC(C)C[N+](CC)(CC)CC
InChIInChI=1S/C13H26N2O/c1-7-15(8-2,9-3)10-12(6)14-13(16)11(4)5/h12H,4,7-10H2,1-3,5-6H3/p+1
InChIKeyCPXKTKSNEIXDDX-UHFFFAOYSA-O
MW227.37 g/mol
LogP1.94
Rot. Bonds7

About triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium

triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium (PubChem CID 87943537) has the molecular formula C13H27N2O+ and a molecular weight of 227.37 g/mol. Its IUPAC name is triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
PubChem CID87943537
Molecular FormulaC13H27N2O+
Molecular Weight227.37 g/mol
Exact Mass227.21
IUPAC Nametriethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NC(C)C[N+](CC)(CC)CC
InChIInChI=1S/C13H26N2O/c1-7-15(8-2,9-3)10-12(6)14-13(16)11(4)5/h12H,4,7-10H2,1-3,5-6H3/p+1
InChIKeyCPXKTKSNEIXDDX-UHFFFAOYSA-O
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 51.94
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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Related Compounds

dimethyl-[2-(2-methylprop-2-enoylamino)propyl]-octadecylazanium bromide
CID 157429845
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide
CID 89088589
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium
CID 140958393
triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18000449
3-[3-(2-methylprop-2-enoylamino)butyl-dipropylazaniumyl]propane-1-sulfonate
CID 134346514
N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide
CID 139973186
N-(1-chloropropyl)-2-methylprop-2-enamide
CID 23228242
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium?
The IUPAC name of triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium (CID 87943537) is triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium.
What is the SMILES notation for triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium?
The canonical SMILES for triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium is C=C(C)C(=O)NC(C)C[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium?
The InChIKey is CPXKTKSNEIXDDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H26N2O/c1-7-15(8-2,9-3)10-12(6)14-13(16)11(4)5/h12H,4,7-10H2,1-3,5-6H3/p+1.
What are the key properties of triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium?
triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium has a molecular weight of 227.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 87943537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).