triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium

C13H27N2O+ — CID 141091344

IUPACtriethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium
SMILESC=CC(=O)N(C)CCC[N+](CC)(CC)CC
InChIInChI=1S/C13H27N2O/c1-6-13(16)14(5)11-10-12-15(7-2,8-3)9-4/h6H,1,7-12H2,2-5H3/q+1
InChIKeyPCYPDRHSMYAMTK-UHFFFAOYSA-N
MW227.37 g/mol
LogP1.90
Rot. Bonds8

About triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium

triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium (PubChem CID 141091344) has the molecular formula C13H27N2O+ and a molecular weight of 227.37 g/mol. Its IUPAC name is triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium.

Molecular Properties

Compound Nametriethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium
PubChem CID141091344
Molecular FormulaC13H27N2O+
Molecular Weight227.37 g/mol
Exact Mass227.21
IUPAC Nametriethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium
SMILESC=CC(=O)N(C)CCC[N+](CC)(CC)CC
InChIInChI=1S/C13H27N2O/c1-6-13(16)14(5)11-10-12-15(7-2,8-3)9-4/h6H,1,7-12H2,2-5H3/q+1
InChIKeyPCYPDRHSMYAMTK-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
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

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
CID 58422062
CID 58422062
N-(3-formamidopropyl)-N-methylprop-2-enamide
CID 141060601
3-[methyl(prop-2-enoyl)amino]propyl butanoate
CID 134486208
(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide
CID 135296269
3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
CID 134486156
triethyl(3-prop-2-enoyloxypropyl)azanium iodide
CID 141332057
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
CID 158816365
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium?
The IUPAC name of triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium (CID 141091344) is triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium.
What is the SMILES notation for triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium?
The canonical SMILES for triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium is C=CC(=O)N(C)CCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium?
The InChIKey is PCYPDRHSMYAMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O/c1-6-13(16)14(5)11-10-12-15(7-2,8-3)9-4/h6H,1,7-12H2,2-5H3/q+1.
What are the key properties of triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium?
triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium has a molecular weight of 227.37 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium is sourced from PubChem (CID 141091344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).