dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium

C15H18NSe2+ — CID 135051355

IUPACdimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium
SMILESCC1=C(c2ccccc2)[Se][Se]/C1=C(/C)C=[N+](C)C
InChIInChI=1S/C15H18NSe2/c1-11(10-16(3)4)14-12(2)15(18-17-14)13-8-6-5-7-9-13/h5-10H,1-4H3/q+1/b14-11-
InChIKeyRLBAYIJCKBUBAM-KAMYIIQDSA-N
MW370.24 g/mol
LogP2.37
Rot. Bonds2

About dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium

dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium (PubChem CID 135051355) has the molecular formula C15H18NSe2+ and a molecular weight of 370.24 g/mol. Its IUPAC name is dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium
PubChem CID135051355
Molecular FormulaC15H18NSe2+
Molecular Weight370.24 g/mol
Exact Mass371.98
IUPAC Namedimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium
SMILESCC1=C(c2ccccc2)[Se][Se]/C1=C(/C)C=[N+](C)C
InChIInChI=1S/C15H18NSe2/c1-11(10-16(3)4)14-12(2)15(18-17-14)13-8-6-5-7-9-13/h5-10H,1-4H3/q+1/b14-11-
InChIKeyRLBAYIJCKBUBAM-KAMYIIQDSA-N
XLogP2.37
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.37
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
N-methyl-alpha-phenylnitrone
CID 819870
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-Benzylidenepropylamine
CID 250250
2,3-Dihydro-1-methyl-4-phenylpyridinium
CID 150459
[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium
CID 3092170
Decylamine, N-benzylidene-
CID 525554
Butylamine, N-benzylidene-
CID 296031
N-methyliminopropylbenzene
CID 11506476
(E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine
CID 142575056

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium?
The IUPAC name of dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium (CID 135051355) is dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium.
What is the SMILES notation for dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium?
The canonical SMILES for dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium is CC1=C(c2ccccc2)[Se][Se]/C1=C(/C)C=[N+](C)C.
What is the InChIKey of dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium?
The InChIKey is RLBAYIJCKBUBAM-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H18NSe2/c1-11(10-16(3)4)14-12(2)15(18-17-14)13-8-6-5-7-9-13/h5-10H,1-4H3/q+1/b14-11-.
What are the key properties of dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium?
dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium has a molecular weight of 370.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium is sourced from PubChem (CID 135051355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).