2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C16H28N2O — CID 808569

IUPAC2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C12CN3CC(C(C)C)(CN(C1)C3(C)C)C2=O
InChIInChI=1S/C16H28N2O/c1-11(2)15-7-17-9-16(12(3)4,13(15)19)10-18(8-15)14(17,5)6/h11-12H,7-10H2,1-6H3
InChIKeyOPNXLNZVQCVBJC-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.22
Rot. Bonds2

About 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 808569) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID808569
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C12CN3CC(C(C)C)(CN(C1)C3(C)C)C2=O
InChIInChI=1S/C16H28N2O/c1-11(2)15-7-17-9-16(12(3)4,13(15)19)10-18(8-15)14(17,5)6/h11-12H,7-10H2,1-6H3
InChIKeyOPNXLNZVQCVBJC-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 808569) is 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC(C)C12CN3CC(C(C)C)(CN(C1)C3(C)C)C2=O.
What is the InChIKey of 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is OPNXLNZVQCVBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)15-7-17-9-16(12(3)4,13(15)19)10-18(8-15)14(17,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 264.41 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 808569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).