diethyl-(prop-2-enoylamino)-propylazanium

C10H21N2O+ — CID 87994834

IUPACdiethyl-(prop-2-enoylamino)-propylazanium
SMILESC=CC(=O)N[N+](CC)(CC)CCC
InChIInChI=1S/C10H20N2O/c1-5-9-12(7-3,8-4)11-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3/p+1
InChIKeyFODIFUBBAYXZJN-UHFFFAOYSA-O
MW185.29 g/mol
LogP1.47
Rot. Bonds6

About diethyl-(prop-2-enoylamino)-propylazanium

diethyl-(prop-2-enoylamino)-propylazanium (PubChem CID 87994834) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is diethyl-(prop-2-enoylamino)-propylazanium.

Molecular Properties

Compound Namediethyl-(prop-2-enoylamino)-propylazanium
PubChem CID87994834
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Namediethyl-(prop-2-enoylamino)-propylazanium
SMILESC=CC(=O)N[N+](CC)(CC)CCC
InChIInChI=1S/C10H20N2O/c1-5-9-12(7-3,8-4)11-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3/p+1
InChIKeyFODIFUBBAYXZJN-UHFFFAOYSA-O
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diallyl-N'-acetylhydrazine
CID 12113025
N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
Dimethyl-(3-methylbutyl)-(prop-2-enoylamino)azanium
CID 18618000
Trimethyl-(prop-2-enoylamino)azanium chloride
CID 19598172
Trimethyl-(prop-2-enoylamino)azanium
CID 19598173
Ethyl-dimethyl-propylazanium;prop-2-enamide
CID 19752024
Prop-2-enamide;triethyl(propyl)azanium;chloride
CID 20095167
N',N'-bis(prop-2-enyl)propanehydrazide
CID 20437800
N',N'-dimethylprop-2-enehydrazide
CID 22020427
N'-methyl-N'-propylprop-2-enehydrazide
CID 23187780
Diethyl-(2-methylprop-2-enoylamino)-propylazanium
CID 53763599
N'-tert-butyl-N-propylprop-2-enehydrazide
CID 53914607

Frequently Asked Questions

What is the IUPAC name of diethyl-(prop-2-enoylamino)-propylazanium?
The IUPAC name of diethyl-(prop-2-enoylamino)-propylazanium (CID 87994834) is diethyl-(prop-2-enoylamino)-propylazanium.
What is the SMILES notation for diethyl-(prop-2-enoylamino)-propylazanium?
The canonical SMILES for diethyl-(prop-2-enoylamino)-propylazanium is C=CC(=O)N[N+](CC)(CC)CCC.
What is the InChIKey of diethyl-(prop-2-enoylamino)-propylazanium?
The InChIKey is FODIFUBBAYXZJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-5-9-12(7-3,8-4)11-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3/p+1.
What are the key properties of diethyl-(prop-2-enoylamino)-propylazanium?
diethyl-(prop-2-enoylamino)-propylazanium has a molecular weight of 185.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(prop-2-enoylamino)-propylazanium is sourced from PubChem (CID 87994834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).