phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone

C17H24N2O — CID 98177898

IUPACphenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone
SMILESCN1C[C@]2(C)CN(C(=O)c3ccccc3)C[C@@](C)(C1)C2
InChIInChI=1S/C17H24N2O/c1-16-9-17(2,11-18(3)10-16)13-19(12-16)15(20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/t16-,17-/m1/s1
InChIKeyZUEDZMSCVGIWAW-IAGOWNOFSA-N
MW272.39 g/mol
LogP2.49
Rot. Bonds1

About phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone

phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone (PubChem CID 98177898) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone
PubChem CID98177898
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Namephenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone
SMILESCN1C[C@]2(C)CN(C(=O)c3ccccc3)C[C@@](C)(C1)C2
InChIInChI=1S/C17H24N2O/c1-16-9-17(2,11-18(3)10-16)13-19(12-16)15(20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/t16-,17-/m1/s1
InChIKeyZUEDZMSCVGIWAW-IAGOWNOFSA-N
XLogP2.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone?
The IUPAC name of phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone (CID 98177898) is phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone.
What is the SMILES notation for phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone?
The canonical SMILES for phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone is CN1C[C@]2(C)CN(C(=O)c3ccccc3)C[C@@](C)(C1)C2.
What is the InChIKey of phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone?
The InChIKey is ZUEDZMSCVGIWAW-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16-9-17(2,11-18(3)10-16)13-19(12-16)15(20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone?
phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone is sourced from PubChem (CID 98177898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).