7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C22H33NO2 — CID 171953735

IUPAC7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1cc2c(cc1C1(O)CC3COCC(C1)N3)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H33NO2/c1-14-8-18-19(21(4,5)7-6-20(18,2)3)9-17(14)22(24)10-15-12-25-13-16(11-22)23-15/h8-9,15-16,23-24H,6-7,10-13H2,1-5H3
InChIKeyFPUBDRPITUMLRK-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.68
Rot. Bonds1

About 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171953735) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171953735
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1cc2c(cc1C1(O)CC3COCC(C1)N3)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H33NO2/c1-14-8-18-19(21(4,5)7-6-20(18,2)3)9-17(14)22(24)10-15-12-25-13-16(11-22)23-15/h8-9,15-16,23-24H,6-7,10-13H2,1-5H3
InChIKeyFPUBDRPITUMLRK-UHFFFAOYSA-N
XLogP3.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171953735) is 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is Cc1cc2c(cc1C1(O)CC3COCC(C1)N3)C(C)(C)CCC2(C)C.
What is the InChIKey of 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is FPUBDRPITUMLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-14-8-18-19(21(4,5)7-6-20(18,2)3)9-17(14)22(24)10-15-12-25-13-16(11-22)23-15/h8-9,15-16,23-24H,6-7,10-13H2,1-5H3.
What are the key properties of 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 343.51 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171953735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).