5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

C15H21N3O — CID 5298473

IUPAC5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
SMILESCC12CN3CC(C)(CN(C1)C3c1ccccn1)C2O
InChIInChI=1S/C15H21N3O/c1-14-7-17-9-15(2,13(14)19)10-18(8-14)12(17)11-5-3-4-6-16-11/h3-6,12-13,19H,7-10H2,1-2H3
InChIKeyRWIGDQRNTJLNPG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.10
Rot. Bonds1

About 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol (PubChem CID 5298473) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.

Molecular Properties

Compound Name5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
PubChem CID5298473
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
SMILESCC12CN3CC(C)(CN(C1)C3c1ccccn1)C2O
InChIInChI=1S/C15H21N3O/c1-14-7-17-9-15(2,13(14)19)10-18(8-14)12(17)11-5-3-4-6-16-11/h3-6,12-13,19H,7-10H2,1-2H3
InChIKeyRWIGDQRNTJLNPG-UHFFFAOYSA-N
XLogP1.10
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The IUPAC name of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol (CID 5298473) is 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
What is the SMILES notation for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The canonical SMILES for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol is CC12CN3CC(C)(CN(C1)C3c1ccccn1)C2O.
What is the InChIKey of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The InChIKey is RWIGDQRNTJLNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-14-7-17-9-15(2,13(14)19)10-18(8-14)12(17)11-5-3-4-6-16-11/h3-6,12-13,19H,7-10H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol has a molecular weight of 259.35 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol is sourced from PubChem (CID 5298473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).