dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium

C23H26NO+ — CID 6973889

IUPACdimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium
SMILESC[NH+](C)CCO[C@@H]1c2ccccc2CCc2ccc3ccccc3c21
InChIInChI=1S/C23H25NO/c1-24(2)15-16-25-23-21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,23H,12,14-16H2,1-2H3/p+1/t23-/m1/s1
InChIKeyBWDSMWZBQJYVLD-HSZRJFAPSA-O
MW332.47 g/mol
LogP3.19
Rot. Bonds4

About dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium

dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium (PubChem CID 6973889) has the molecular formula C23H26NO+ and a molecular weight of 332.47 g/mol. Its IUPAC name is dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium
PubChem CID6973889
Molecular FormulaC23H26NO+
Molecular Weight332.47 g/mol
Exact Mass332.20
IUPAC Namedimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium
SMILESC[NH+](C)CCO[C@@H]1c2ccccc2CCc2ccc3ccccc3c21
InChIInChI=1S/C23H25NO/c1-24(2)15-16-25-23-21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,23H,12,14-16H2,1-2H3/p+1/t23-/m1/s1
InChIKeyBWDSMWZBQJYVLD-HSZRJFAPSA-O
XLogP3.19
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium?
The IUPAC name of dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium (CID 6973889) is dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium is C[NH+](C)CCO[C@@H]1c2ccccc2CCc2ccc3ccccc3c21.
What is the InChIKey of dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium?
The InChIKey is BWDSMWZBQJYVLD-HSZRJFAPSA-O. The full InChI is InChI=1S/C23H25NO/c1-24(2)15-16-25-23-21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,23H,12,14-16H2,1-2H3/p+1/t23-/m1/s1.
What are the key properties of dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium?
dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium has a molecular weight of 332.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium is sourced from PubChem (CID 6973889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).