dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride

C22H28ClN — CID 6434983

IUPACdimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride
SMILESCC(/C=C1/C=C\C2=C(CCC=C2)Cc2ccccc21)C[NH+](C)C.[Cl-]
InChIInChI=1S/C22H27N.ClH/c1-17(16-23(2)3)14-21-13-12-18-8-4-5-9-19(18)15-20-10-6-7-11-22(20)21;/h4,6-8,10-14,17H,5,9,15-16H2,1-3H3;1H/b13-12-,21-14-;
InChIKeyWSUGMWHXWQWJKX-GBRYHRIBSA-N
MW341.93 g/mol
LogP0.61
Rot. Bonds3

About dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride

dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride (PubChem CID 6434983) has the molecular formula C22H28ClN and a molecular weight of 341.93 g/mol. Its IUPAC name is dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride
PubChem CID6434983
Molecular FormulaC22H28ClN
Molecular Weight341.93 g/mol
Exact Mass341.19
IUPAC Namedimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride
SMILESCC(/C=C1/C=C\C2=C(CCC=C2)Cc2ccccc21)C[NH+](C)C.[Cl-]
InChIInChI=1S/C22H27N.ClH/c1-17(16-23(2)3)14-21-13-12-18-8-4-5-9-19(18)15-20-10-6-7-11-22(20)21;/h4,6-8,10-14,17H,5,9,15-16H2,1-3H3;1H/b13-12-,21-14-;
InChIKeyWSUGMWHXWQWJKX-GBRYHRIBSA-N
XLogP0.61
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride?
The IUPAC name of dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride (CID 6434983) is dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride.
What is the SMILES notation for dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride?
The canonical SMILES for dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride is CC(/C=C1/C=C\C2=C(CCC=C2)Cc2ccccc21)C[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride?
The InChIKey is WSUGMWHXWQWJKX-GBRYHRIBSA-N. The full InChI is InChI=1S/C22H27N.ClH/c1-17(16-23(2)3)14-21-13-12-18-8-4-5-9-19(18)15-20-10-6-7-11-22(20)21;/h4,6-8,10-14,17H,5,9,15-16H2,1-3H3;1H/b13-12-,21-14-;.
What are the key properties of dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride?
dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride has a molecular weight of 341.93 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3Z)-2-methyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propyl]azanium chloride is sourced from PubChem (CID 6434983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).