ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium

C10H20N3O2+ — CID 58400507

IUPACethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium
SMILESC=C/[N+](=C\NC)CC(=O)NCCCOC
InChIInChI=1S/C10H19N3O2/c1-4-13(9-11-2)8-10(14)12-6-5-7-15-3/h4,9H,1,5-8H2,2-3H3,(H,12,14)/p+1
InChIKeyZCWKNQDTYSCPSZ-UHFFFAOYSA-O
MW214.29 g/mol
LogP-0.46
Rot. Bonds8

About ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium

ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium (PubChem CID 58400507) has the molecular formula C10H20N3O2+ and a molecular weight of 214.29 g/mol. Its IUPAC name is ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium.

Molecular Properties

Compound Nameethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium
PubChem CID58400507
Molecular FormulaC10H20N3O2+
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Nameethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium
SMILESC=C/[N+](=C\NC)CC(=O)NCCCOC
InChIInChI=1S/C10H19N3O2/c1-4-13(9-11-2)8-10(14)12-6-5-7-15-3/h4,9H,1,5-8H2,2-3H3,(H,12,14)/p+1
InChIKeyZCWKNQDTYSCPSZ-UHFFFAOYSA-O
XLogP-0.46
TPSA53.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Ethenyl-[2-(2-methoxyethylamino)-2-oxoethyl]-(methylaminomethylidene)azanium
CID 58400502
Ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium
CID 88912746
2-(1H-imidazol-1-ium-1-yl)-N-(1-methoxybutyl)acetamide bromide
CID 140566136
3-(3-Ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 55155639
1-Tert-butyl-3-(3-methoxypropylamino)pyrazin-2-one
CID 55156219
3-[(3-Methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
CID 55157762
1-[2-(3-Methoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62927536
1-Ethyl-3-(4-methoxybutylamino)pyrazin-2-one
CID 62928796
3-(4-Methoxybutylamino)-1-propylpyrazin-2-one
CID 62928797
3-[(3-Methoxy-2-methylpropyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62928803
1-Ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one
CID 62928979
1-[2-(3-Ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62929095

Frequently Asked Questions

What is the IUPAC name of ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium?
The IUPAC name of ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium (CID 58400507) is ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium.
What is the SMILES notation for ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium?
The canonical SMILES for ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium is C=C/[N+](=C\NC)CC(=O)NCCCOC.
What is the InChIKey of ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium?
The InChIKey is ZCWKNQDTYSCPSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19N3O2/c1-4-13(9-11-2)8-10(14)12-6-5-7-15-3/h4,9H,1,5-8H2,2-3H3,(H,12,14)/p+1.
What are the key properties of ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium?
ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium has a molecular weight of 214.29 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[2-(3-methoxypropylamino)-2-oxoethyl]-(methylaminomethylidene)azanium is sourced from PubChem (CID 58400507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).