4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol

C16H23NO — CID 873610

IUPAC4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
SMILESCC1(C)CCN2CCC(C)(C)c3c(O)ccc1c32
InChIInChI=1S/C16H23NO/c1-15(2)7-9-17-10-8-16(3,4)13-12(18)6-5-11(15)14(13)17/h5-6,18H,7-10H2,1-4H3
InChIKeyRBFKOHMQYNQBAR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.56
Rot. Bonds

About 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol

4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol (PubChem CID 873610) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol.

Molecular Properties

Compound Name4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
PubChem CID873610
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
SMILESCC1(C)CCN2CCC(C)(C)c3c(O)ccc1c32
InChIInChI=1S/C16H23NO/c1-15(2)7-9-17-10-8-16(3,4)13-12(18)6-5-11(15)14(13)17/h5-6,18H,7-10H2,1-4H3
InChIKeyRBFKOHMQYNQBAR-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol?
The IUPAC name of 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol (CID 873610) is 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol.
What is the SMILES notation for 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol?
The canonical SMILES for 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol is CC1(C)CCN2CCC(C)(C)c3c(O)ccc1c32.
What is the InChIKey of 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol?
The InChIKey is RBFKOHMQYNQBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(2)7-9-17-10-8-16(3,4)13-12(18)6-5-11(15)14(13)17/h5-6,18H,7-10H2,1-4H3.
What are the key properties of 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol?
4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol has a molecular weight of 245.37 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol is sourced from PubChem (CID 873610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).