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

C10H21N2O+ — CID 87449059

IUPACtriethyl-[(prop-2-enoylamino)methyl]azanium
SMILESC=CC(=O)NC[N+](CC)(CC)CC
InChIInChI=1S/C10H20N2O/c1-5-10(13)11-9-12(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3/p+1
InChIKeyZHWLVGPUAZKNFY-UHFFFAOYSA-O
MW185.29 g/mol
LogP1.12
Rot. Bonds6

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

triethyl-[(prop-2-enoylamino)methyl]azanium (PubChem CID 87449059) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is triethyl-[(prop-2-enoylamino)methyl]azanium.

Molecular Properties

Compound Nametriethyl-[(prop-2-enoylamino)methyl]azanium
PubChem CID87449059
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Nametriethyl-[(prop-2-enoylamino)methyl]azanium
SMILESC=CC(=O)NC[N+](CC)(CC)CC
InChIInChI=1S/C10H20N2O/c1-5-10(13)11-9-12(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3/p+1
InChIKeyZHWLVGPUAZKNFY-UHFFFAOYSA-O
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.12
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'}

Analyze triethyl-[(prop-2-enoylamino)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethyl-[(prop-2-enoylamino)methyl]azanium chloride
CID 87449058
methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
CID 161490642
chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium
CID 174765196
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium
CID 101274942
prop-2-enamide;tetraethylazanium
CID 160757497
N-(2-ethylsulfanylethyl)prop-2-enamide
CID 54468890
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
CID 173161904
CID 173161904
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[(E)-pent-2-enyl]prop-2-enamide
CID 131241342

Frequently Asked Questions

What is the IUPAC name of triethyl-[(prop-2-enoylamino)methyl]azanium?
The IUPAC name of triethyl-[(prop-2-enoylamino)methyl]azanium (CID 87449059) is triethyl-[(prop-2-enoylamino)methyl]azanium.
What is the SMILES notation for triethyl-[(prop-2-enoylamino)methyl]azanium?
The canonical SMILES for triethyl-[(prop-2-enoylamino)methyl]azanium is C=CC(=O)NC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[(prop-2-enoylamino)methyl]azanium?
The InChIKey is ZHWLVGPUAZKNFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-5-10(13)11-9-12(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3/p+1.
What are the key properties of triethyl-[(prop-2-enoylamino)methyl]azanium?
triethyl-[(prop-2-enoylamino)methyl]azanium has a molecular weight of 185.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(prop-2-enoylamino)methyl]azanium is sourced from PubChem (CID 87449059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).