dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride

C21H26ClNO — CID 29263

IUPACdimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride
SMILESC[NH+](C)CCOC12CCC(C)(c3ccccc31)c1ccccc12.[Cl-]
InChIInChI=1S/C21H25NO.ClH/c1-20-12-13-21(23-15-14-22(2)3,18-10-6-4-8-16(18)20)19-11-7-5-9-17(19)20;/h4-11H,12-15H2,1-3H3;1H
InChIKeyFURHRARJHUORSD-UHFFFAOYSA-N
MW343.90 g/mol
LogP-0.49
Rot. Bonds4

About dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride

dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride (PubChem CID 29263) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride
PubChem CID29263
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Namedimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride
SMILESC[NH+](C)CCOC12CCC(C)(c3ccccc31)c1ccccc12.[Cl-]
InChIInChI=1S/C21H25NO.ClH/c1-20-12-13-21(23-15-14-22(2)3,18-10-6-4-8-16(18)20)19-11-7-5-9-17(19)20;/h4-11H,12-15H2,1-3H3;1H
InChIKeyFURHRARJHUORSD-UHFFFAOYSA-N
XLogP-0.49
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride (CID 29263) is dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride is C[NH+](C)CCOC12CCC(C)(c3ccccc31)c1ccccc12.[Cl-].
What is the InChIKey of dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride?
The InChIKey is FURHRARJHUORSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO.ClH/c1-20-12-13-21(23-15-14-22(2)3,18-10-6-4-8-16(18)20)19-11-7-5-9-17(19)20;/h4-11H,12-15H2,1-3H3;1H.
What are the key properties of dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride?
dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride has a molecular weight of 343.90 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethyl]azanium chloride is sourced from PubChem (CID 29263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).