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

C12H25N2O+ — CID 18000449

IUPACtriethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NCC[N+](CC)(CC)CC
InChIInChI=1S/C12H24N2O/c1-6-14(7-2,8-3)10-9-13-12(15)11(4)5/h4,6-10H2,1-3,5H3/p+1
InChIKeyVDSZVJAWIPMIEX-UHFFFAOYSA-O
MW213.34 g/mol
LogP1.56
Rot. Bonds7

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

triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium (PubChem CID 18000449) has the molecular formula C12H25N2O+ and a molecular weight of 213.34 g/mol. Its IUPAC name is triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
PubChem CID18000449
Molecular FormulaC12H25N2O+
Molecular Weight213.34 g/mol
Exact Mass213.20
IUPAC Nametriethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NCC[N+](CC)(CC)CC
InChIInChI=1S/C12H24N2O/c1-6-14(7-2,8-3)10-9-13-12(15)11(4)5/h4,6-10H2,1-3,5H3/p+1
InChIKeyVDSZVJAWIPMIEX-UHFFFAOYSA-O
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 51.56
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

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
N-(3-Aminopropyl) methacrylamide
CID 2734954

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The IUPAC name of triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium (CID 18000449) is triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium.
What is the SMILES notation for triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The canonical SMILES for triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium is C=C(C)C(=O)NCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The InChIKey is VDSZVJAWIPMIEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N2O/c1-6-14(7-2,8-3)10-9-13-12(15)11(4)5/h4,6-10H2,1-3,5H3/p+1.
What are the key properties of triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium has a molecular weight of 213.34 g/mol, XLogP of 1.56, 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)ethyl]azanium is sourced from PubChem (CID 18000449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).