(1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium

C18H24NSe+ — CID 134874659

IUPAC(1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium
SMILESC=CCC(C([Se]C)=[N+](CC=C)CC=C)c1ccccc1
InChIInChI=1S/C18H24NSe/c1-5-11-17(16-12-9-8-10-13-16)18(20-4)19(14-6-2)15-7-3/h5-10,12-13,17H,1-3,11,14-15H2,4H3/q+1
InChIKeyAMXDQAQFJDZFHJ-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.88
Rot. Bonds9

About (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium

(1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium (PubChem CID 134874659) has the molecular formula C18H24NSe+ and a molecular weight of 333.36 g/mol. Its IUPAC name is (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name(1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium
PubChem CID134874659
Molecular FormulaC18H24NSe+
Molecular Weight333.36 g/mol
Exact Mass334.11
IUPAC Name(1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium
SMILESC=CCC(C([Se]C)=[N+](CC=C)CC=C)c1ccccc1
InChIInChI=1S/C18H24NSe/c1-5-11-17(16-12-9-8-10-13-16)18(20-4)19(14-6-2)15-7-3/h5-10,12-13,17H,1-3,11,14-15H2,4H3/q+1
InChIKeyAMXDQAQFJDZFHJ-UHFFFAOYSA-N
XLogP3.88
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.88
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'}

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Related Compounds

N-Methyl-3-phenyl-N-(prop-2-en-1-yl)hex-5-en-1-amine--hydrogen chloride (1/1)
CID 3046461
N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine
CID 118718807
N-methyl-N-[(2S)-2-phenylpropyl]penta-2,3-dien-1-amine
CID 118719076
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-Methyl-4-phenyl-3,4-dihydropyridin-1-ium
CID 53693750
(E)-N,N-diethyl-3-phenylbut-2-en-1-amine
CID 134958644
N,N-Diethyl-5-methyl-3-phenylhexylamine hydrochloride
CID 3028628
N-methyl-3-phenylbutan-2-imine
CID 139398106
N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine
CID 10687156
CID 10805624
CID 10805624
(2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide
CID 10844272

Frequently Asked Questions

What is the IUPAC name of (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium?
The IUPAC name of (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium (CID 134874659) is (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium.
What is the SMILES notation for (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium?
The canonical SMILES for (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium is C=CCC(C([Se]C)=[N+](CC=C)CC=C)c1ccccc1.
What is the InChIKey of (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium?
The InChIKey is AMXDQAQFJDZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NSe/c1-5-11-17(16-12-9-8-10-13-16)18(20-4)19(14-6-2)15-7-3/h5-10,12-13,17H,1-3,11,14-15H2,4H3/q+1.
What are the key properties of (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium?
(1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium has a molecular weight of 333.36 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylselanyl-2-phenylpent-4-enylidene)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 134874659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).