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

C11H23N2O+ — CID 4152954

IUPACtriethyl-[2-(prop-2-enoylamino)ethyl]azanium
SMILESC=CC(=O)NCC[N+](CC)(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-11(14)12-9-10-13(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3/p+1
InChIKeyBQXBBVMZXGOCPS-UHFFFAOYSA-O
MW199.32 g/mol
LogP1.17
Rot. Bonds7

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

triethyl-[2-(prop-2-enoylamino)ethyl]azanium (PubChem CID 4152954) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is triethyl-[2-(prop-2-enoylamino)ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-(prop-2-enoylamino)ethyl]azanium
PubChem CID4152954
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Nametriethyl-[2-(prop-2-enoylamino)ethyl]azanium
SMILESC=CC(=O)NCC[N+](CC)(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-11(14)12-9-10-13(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3/p+1
InChIKeyBQXBBVMZXGOCPS-UHFFFAOYSA-O
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.17
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 triethyl-[2-(prop-2-enoylamino)ethyl]azanium?
The IUPAC name of triethyl-[2-(prop-2-enoylamino)ethyl]azanium (CID 4152954) is triethyl-[2-(prop-2-enoylamino)ethyl]azanium.
What is the SMILES notation for triethyl-[2-(prop-2-enoylamino)ethyl]azanium?
The canonical SMILES for triethyl-[2-(prop-2-enoylamino)ethyl]azanium is C=CC(=O)NCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[2-(prop-2-enoylamino)ethyl]azanium?
The InChIKey is BQXBBVMZXGOCPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-5-11(14)12-9-10-13(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3/p+1.
What are the key properties of triethyl-[2-(prop-2-enoylamino)ethyl]azanium?
triethyl-[2-(prop-2-enoylamino)ethyl]azanium has a molecular weight of 199.32 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(prop-2-enoylamino)ethyl]azanium is sourced from PubChem (CID 4152954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).