methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium

C16H22NSe+ — CID 134874583

IUPACmethyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium
SMILESC=CCC(/C([Se]C)=[N+](/C)CC=C)c1ccccc1
InChIInChI=1S/C16H22NSe/c1-5-10-15(14-11-8-7-9-12-14)16(18-4)17(3)13-6-2/h5-9,11-12,15H,1-2,10,13H2,3-4H3/q+1/b17-16+
InChIKeyNIWMOQQCUQDROY-WUKNDPDISA-N
MW307.32 g/mol
LogP3.33
Rot. Bonds7

About methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium

methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium (PubChem CID 134874583) has the molecular formula C16H22NSe+ and a molecular weight of 307.32 g/mol. Its IUPAC name is methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium.

Molecular Properties

Compound Namemethyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium
PubChem CID134874583
Molecular FormulaC16H22NSe+
Molecular Weight307.32 g/mol
Exact Mass308.09
IUPAC Namemethyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium
SMILESC=CCC(/C([Se]C)=[N+](/C)CC=C)c1ccccc1
InChIInChI=1S/C16H22NSe/c1-5-10-15(14-11-8-7-9-12-14)16(18-4)17(3)13-6-2/h5-9,11-12,15H,1-2,10,13H2,3-4H3/q+1/b17-16+
InChIKeyNIWMOQQCUQDROY-WUKNDPDISA-N
XLogP3.33
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium 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

Dimethyl-(3-phenyl-but-2-enyl)-amine
CID 13212930
N-Methyl-3-phenyl-N-(prop-2-en-1-yl)hex-5-en-1-amine--hydrogen chloride (1/1)
CID 3046461
1-Butanamine, 3-methyl-N-(2-phenylethylidene)-
CID 576349
Methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium;trifluoromethanesulfonate
CID 134874582
(1-Methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium;trifluoromethanesulfonate
CID 134874658
1-phenyl-N-propylpropan-2-imine
CID 11105880
1-Methyl-4-phenyl-3,4-dihydropyridin-1-ium
CID 53693750
4-phenyl-N-propylbutan-2-imine
CID 101462899
2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine
CID 91262052
2-(3-fluorophenyl)-N-methylpropan-1-imine
CID 142053879
N-methyl-3-phenylbutan-2-imine
CID 139398106
N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine
CID 10687156

Frequently Asked Questions

What is the IUPAC name of methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium?
The IUPAC name of methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium (CID 134874583) is methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium.
What is the SMILES notation for methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium?
The canonical SMILES for methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium is C=CCC(/C([Se]C)=[N+](/C)CC=C)c1ccccc1.
What is the InChIKey of methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium?
The InChIKey is NIWMOQQCUQDROY-WUKNDPDISA-N. The full InChI is InChI=1S/C16H22NSe/c1-5-10-15(14-11-8-7-9-12-14)16(18-4)17(3)13-6-2/h5-9,11-12,15H,1-2,10,13H2,3-4H3/q+1/b17-16+.
What are the key properties of methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium?
methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium has a molecular weight of 307.32 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1-methylselanyl-2-phenylpent-4-enylidene)-prop-2-enylazanium is sourced from PubChem (CID 134874583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).