5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride

C15H29ClN2O — CID 175666864

IUPAC5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride
SMILESCCC12CN3CC(CC)(CN(C1)C3C(C)C)C2O.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-5-14-7-16-9-15(6-2,13(14)18)10-17(8-14)12(16)11(3)4;/h11-13,18H,5-10H2,1-4H3;1H
InChIKeyFOCYIKGBLHBQJU-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.19
Rot. Bonds3

About 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride

5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride (PubChem CID 175666864) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride.

Molecular Properties

Compound Name5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride
PubChem CID175666864
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride
SMILESCCC12CN3CC(CC)(CN(C1)C3C(C)C)C2O.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-5-14-7-16-9-15(6-2,13(14)18)10-17(8-14)12(16)11(3)4;/h11-13,18H,5-10H2,1-4H3;1H
InChIKeyFOCYIKGBLHBQJU-UHFFFAOYSA-N
XLogP2.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride?
The IUPAC name of 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride (CID 175666864) is 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride.
What is the SMILES notation for 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride?
The canonical SMILES for 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride is CCC12CN3CC(CC)(CN(C1)C3C(C)C)C2O.Cl.
What is the InChIKey of 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride?
The InChIKey is FOCYIKGBLHBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-5-14-7-16-9-15(6-2,13(14)18)10-17(8-14)12(16)11(3)4;/h11-13,18H,5-10H2,1-4H3;1H.
What are the key properties of 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride?
5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol;hydrochloride is sourced from PubChem (CID 175666864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).