6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

C21H27NO — CID 11120443

IUPAC6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESCCN(CC)Cc1c2ccc(c1O)CCc1ccc(cc1)CC2
InChIInChI=1S/C21H27NO/c1-3-22(4-2)15-20-18-11-9-16-5-7-17(8-6-16)10-12-19(14-13-18)21(20)23/h5-8,13-14,23H,3-4,9-12,15H2,1-2H3
InChIKeyRRPZFYUOCOPSGS-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.12
Rot. Bonds4

About 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (PubChem CID 11120443) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.

Molecular Properties

Compound Name6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
PubChem CID11120443
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESCCN(CC)Cc1c2ccc(c1O)CCc1ccc(cc1)CC2
InChIInChI=1S/C21H27NO/c1-3-22(4-2)15-20-18-11-9-16-5-7-17(8-6-16)10-12-19(14-13-18)21(20)23/h5-8,13-14,23H,3-4,9-12,15H2,1-2H3
InChIKeyRRPZFYUOCOPSGS-UHFFFAOYSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The IUPAC name of 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (CID 11120443) is 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.
What is the SMILES notation for 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The canonical SMILES for 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is CCN(CC)Cc1c2ccc(c1O)CCc1ccc(cc1)CC2.
What is the InChIKey of 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The InChIKey is RRPZFYUOCOPSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-22(4-2)15-20-18-11-9-16-5-7-17(8-6-16)10-12-19(14-13-18)21(20)23/h5-8,13-14,23H,3-4,9-12,15H2,1-2H3.
What are the key properties of 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol has a molecular weight of 309.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is sourced from PubChem (CID 11120443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).