2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C17H28N2O — CID 702974

IUPAC2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CC(C)(CN(C1)C3(C)C1CCCCC1)C2=O
InChIInChI=1S/C17H28N2O/c1-15-9-18-11-16(2,14(15)20)12-19(10-15)17(18,3)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKeyCAKPYCASWKAABY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.51
Rot. Bonds1

About 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 702974) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID702974
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CC(C)(CN(C1)C3(C)C1CCCCC1)C2=O
InChIInChI=1S/C17H28N2O/c1-15-9-18-11-16(2,14(15)20)12-19(10-15)17(18,3)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKeyCAKPYCASWKAABY-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 702974) is 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC12CN3CC(C)(CN(C1)C3(C)C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is CAKPYCASWKAABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15-9-18-11-16(2,14(15)20)12-19(10-15)17(18,3)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3.
What are the key properties of 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 276.42 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 702974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).