2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol

C23H25NO — CID 11964445

IUPAC2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol
SMILESCN(C)CCC1(O)c2ccccc2CCc2ccc3ccccc3c21
InChIInChI=1S/C23H25NO/c1-24(2)16-15-23(25)21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,25H,12,14-16H2,1-2H3
InChIKeyIUXDSDVOBHKNSE-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.13
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol

2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol (PubChem CID 11964445) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol
PubChem CID11964445
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol
SMILESCN(C)CCC1(O)c2ccccc2CCc2ccc3ccccc3c21
InChIInChI=1S/C23H25NO/c1-24(2)16-15-23(25)21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,25H,12,14-16H2,1-2H3
InChIKeyIUXDSDVOBHKNSE-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol?
The IUPAC name of 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol (CID 11964445) is 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol is CN(C)CCC1(O)c2ccccc2CCc2ccc3ccccc3c21.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol?
The InChIKey is IUXDSDVOBHKNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-24(2)16-15-23(25)21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,25H,12,14-16H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol?
2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol has a molecular weight of 331.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol is sourced from PubChem (CID 11964445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).